glucose_dry_ms.csv

There were 3241 Peaks found from m/z=   137.59    to m/z=  1101.74.
NEGATIVE ION MODE
Noise threshold: 0.010337        Peak threshold: 0.014767

Calibration parameters: A = 144217942.213457 , B = -319661632.416391 and Trap Plate Voltage = -1.000000
Center of Mass for the Assigned Window is   471.5064

 There were ,1028 odd peaks, and ,2213 even peaks

Peak Number,Mass,Rel. Abundance,RP,Kendrick Mass,Nom. Mass,Odd/Even,Nom. Z,KMD,Series Fit,DBE,Group,,Molecular Formula
       1, 514.284397, 22.4919,  784549.87,  513.7102,  514,   1,  -4, 290,   0, 5.0,,N1 O7 S1 ,,C,26,H,44,N,1,O,7,S,1,,,,,,,,,,,,,,,
       2, 226.064954,  0.9022, 1827860.87,  225.8125,  226,   1, -12, 187,   1, 1.0,,O8 13C1 ,,C,6,H,13,,,O,8,,,,,13C,1, ,,,,,,,,,,
       3, 240.080598,  1.0122, 1698956.72,  239.8125,  240,   1, -12, 187,   1, 1.0,,O8 13C1 ,,C,7,H,15,,,O,8,,,,,13C,1, ,,,,,,,,,,
       4, 436.299697, 11.7966,  935512.99,  435.8125,  436,   1, -12, 187,   1, 1.0,,O8 13C1 ,,C,21,H,43,,,O,8,,,,,13C,1, ,,,,,,,,,,
       5, 464.331004, 13.2206,  868381.17,  463.8126,  464,   1, -12, 187,   1, 1.0,,O8 13C1 ,,C,23,H,47,,,O,8,,,,,13C,1, ,,,,,,,,,,
       6, 268.075508,  0.4687, 1522044.12,  267.7762,  268,   1, -12, 224,   2, 2.0,,O9 13C1 ,,C,8,H,15,,,O,9,,,,,13C,1, ,,,,,,,,,,
       7, 282.091159,  0.3164, 1547104.16,  281.7762,  282,   1, -12, 224,   2, 2.0,,O9 13C1 ,,C,9,H,17,,,O,9,,,,,13C,1, ,,,,,,,,,,
       8, 296.106807, 12.7478, 1410852.57,  295.7762,  296,   1, -12, 224,   2, 2.0,,O9 13C1 ,,C,10,H,19,,,O,9,,,,,13C,1, ,,,,,,,,,,
       9, 464.294609,  0.4482,  875886.33,  463.7762,  464,   1, -12, 224,   2, 2.0,,O9 13C1 ,,C,22,H,43,,,O,9,,,,,13C,1, ,,,,,,,,,,
      10, 492.325924,  0.5744,  840065.38,  491.7762,  492,   1, -12, 224,   2, 2.0,,O9 13C1 ,,C,24,H,47,,,O,9,,,,,13C,1, ,,,,,,,,,,
      11, 328.096629,  0.2847, 1289079.90,  327.7303,  328,   1,  -8, 270,   3, 0.0,,,No Hit
      12, 342.112274, 12.4003, 1214719.80,  341.7303,  342,   1,  -8, 270,   3, 0.0,,,No Hit
      13, 310.086078,  0.2931, 1303945.87,  309.7399,  310,   1, -12, 260,   4, 3.0,,O10 13C1 ,,C,10,H,17,,,O,10,,,,,13C,1, ,,,,,,,,,,
      14, 324.101716, 11.5243, 1291413.91,  323.7398,  324,   1, -12, 260,   4, 3.0,,O10 13C1 ,,C,11,H,19,,,O,10,,,,,13C,1, ,,,,,,,,,,
      15, 534.336507,  0.2744,  702381.03,  533.7399,  534,   1, -12, 260,   4, 3.0,,O10 13C1 ,,C,26,H,49,,,O,10,,,,,13C,1, ,,,,,,,,,,
      16, 562.367814,  0.3179,  731341.71,  561.7399,  562,   1, -12, 260,   4, 3.0,,O10 13C1 ,,C,28,H,53,,,O,10,,,,,13C,1, ,,,,,,,,,,
      17, 416.112650,  0.3217,  978711.90,  415.6480,  416,   1,  -4, 352,   5, 3.0,,O14 13C1 ,,C,13,H,23,,,O,14,,,,,13C,1, ,,,,,,,,,,
      18, 430.128311,  1.5120,  953936.70,  429.6481,  430,   1,  -4, 352,   5, 3.0,,O14 13C1 ,,C,14,H,25,,,O,14,,,,,13C,1, ,,,,,,,,,,
      19, 444.143957,  0.7307,  905863.03,  443.6480,  444,   1,  -4, 352,   5, 3.0,,O14 13C1 ,,C,15,H,27,,,O,14,,,,,13C,1, ,,,,,,,,,,
      20, 458.159614, 10.7803,  887673.45,  457.6481,  458,   1,  -4, 352,   5, 3.0,,O14 13C1 ,,C,16,H,29,,,O,14,,,,,13C,1, ,,,,,,,,,,
      21, 504.165100,  9.4603,  789463.06,  503.6022,  504,   1, -14, 398,   6, 0.0,,,No Hit
      22, 388.117747,  8.1444, 1056509.89,  387.6844,  388,   1,  -4, 316,   7, 2.0,,O13 13C1 ,,C,12,H,23,,,O,13,,,,,13C,1, ,,,,,,,,,,
      23, 598.352584,  2.2181,  682708.00,  597.6845,  598,   1,  -4, 315,   7, 2.0,,O13 13C1 ,,C,27,H,53,,,O,13,,,,,13C,1, ,,,,,,,,,,
      24, 626.383900,  2.1913,  659749.47,  625.6845,  626,   1,  -4, 315,   7, 2.0,,O13 13C1 ,,C,29,H,57,,,O,13,,,,,13C,1, ,,,,,,,,,,
      25, 376.096609,  0.4837, 1073529.30,  375.6767,  376,   1,  -2, 323,   8, 6.0,,O11 13C1 ,,C,14,H,19,,,O,11,,,,,13C,1, ,,,,,,,,,,
      26, 390.112270,  0.2694, 1029354.89,  389.6767,  390,   1,  -2, 323,   8, 6.0,,O11 13C1 ,,C,15,H,21,,,O,11,,,,,13C,1, ,,,,,,,,,,
      27, 404.127920,  7.4298, 1029319.90,  403.6767,  404,   1,  -2, 323,   8, 6.0,,O11 13C1 ,,C,16,H,23,,,O,11,,,,,13C,1, ,,,,,,,,,,
      28, 810.581706,  0.2295,  356581.19,  809.6766,  810,   1,  -2, 323,   8, 6.0,,O11 13C1 ,,C,45,H,81,,,O,11,,,,,13C,1, ,,,,,,,,,,
      29, 208.054394,  0.3750, 1955172.41,  207.8221,  208,   1,  -2, 178,   9, 2.0,,O7 13C1 ,,C,6,H,11,,,O,7,,,,,13C,1, ,,,,,,,,,,
      30, 222.070040,  0.8730, 1829587.32,  221.8221,  222,   1,  -2, 178,   9, 2.0,,O7 13C1 ,,C,7,H,13,,,O,7,,,,,13C,1, ,,,,,,,,,,
      31, 404.273473,  0.2706, 1053037.32,  403.8221,  404,   1,  -2, 178,   9, 2.0,,O7 13C1 ,,C,20,H,39,,,O,7,,,,,13C,1, ,,,,,,,,,,
      32, 418.289137,  6.2958,  990001.72,  417.8221,  418,   1,  -2, 178,   9, 2.0,,O7 13C1 ,,C,21,H,41,,,O,7,,,,,13C,1, ,,,,,,,,,,
      33, 432.304776,  0.4628,  936177.46,  431.8221,  432,   1,  -2, 178,   9, 2.0,,O7 13C1 ,,C,22,H,43,,,O,7,,,,,13C,1, ,,,,,,,,,,
      34, 446.320434,  6.6657,  914139.17,  445.8221,  446,   1,  -2, 178,   9, 2.0,,O7 13C1 ,,C,23,H,45,,,O,7,,,,,13C,1, ,,,,,,,,,,
      35, 256.236316,  3.2605, 1604909.63,  255.9502,  256,   1, -10,  50,  10, 0.0,,,No Hit
      36, 284.267615,  6.3263, 1448884.97,  283.9502,  284,   1, -10,  50,  10, 0.0,,,No Hit
      37, 486.154535,  6.1839,  832546.16,  485.6117,  486,   1,  -4, 388,  11, 0.0,,,No Hit
      38, 666.217985,  6.1708,  626845.83,  665.4741,  666,   1,  -7,-474,  12, 0.0,,,No Hit
      39, 402.133400,  6.0154, 1022326.27,  401.6844,  402,   1,  -4, 316,  13, 0.0,,,No Hit
      40, 412.117747,  0.7352, 1015951.18,  411.6576,  412,   1,  -8, 342,  14, 4.0,,O13 13C1 ,,C,14,H,23,,,O,13,,,,,13C,1, ,,,,,,,,,,
      41, 426.133402,  0.3786,  999605.70,  425.6576,  426,   1,  -8, 342,  14, 4.0,,O13 13C1 ,,C,15,H,25,,,O,13,,,,,13C,1, ,,,,,,,,,,
      42, 440.149042,  5.9582,  938174.61,  439.6576,  440,   1,  -8, 342,  14, 4.0,,O13 13C1 ,,C,16,H,27,,,O,13,,,,,13C,1, ,,,,,,,,,,
      43, 550.170591,  5.6734,  726444.13,  549.5563,  550,   1, -10, 444,  15, 3.0,,O18 13C1 ,*,C,18,H,33,,,O,18,,,,,13C,1, ,,,,,,,,,,
      44, 760.405479,  0.4997,  522573.00,  759.5564,  760,   1, -10, 443,  15, 3.0,,O18 13C1 ,*,C,33,H,63,,,O,18,,,,,13C,1, ,,,,,,,,,,
      45, 788.436803,  0.4608,  580772.17,  787.5565,  788,   1, -10, 443,  15, 3.0,,O18 13C1 ,*,C,35,H,67,,,O,18,,,,,13C,1, ,,,,,,,,,,
      46, 564.186248,  5.4813,  699173.97,  563.5563,  564,   1, -10, 444,  16, 0.0,,,No Hit
      47, 396.218009,  5.1534, 1039380.91,  395.7756,  396,   1, -10, 224,  17,10.0,,N1 O4 ,,C,24,H,30,N,1,O,4,,,,,,,,,,,,,,,,,
      48, 250.064942,  0.2387, 1708752.76,  249.7857,  250,   1,  -2, 214,  18, 3.0,,O8 13C1 ,,C,8,H,13,,,O,8,,,,,13C,1, ,,,,,,,,,,
      49, 264.080594,  0.4003, 1555255.37,  263.7857,  264,   1,  -2, 214,  18, 3.0,,O8 13C1 ,,C,9,H,15,,,O,8,,,,,13C,1, ,,,,,,,,,,
      50, 278.096240,  4.1670, 1523793.75,  277.7857,  278,   1,  -2, 214,  18, 3.0,,O8 13C1 ,,C,10,H,17,,,O,8,,,,,13C,1, ,,,,,,,,,,
      51, 404.104565,  4.0205, 1025576.85,  403.6534,  404,   1,  -2, 347,  19, 2.0,,N1 O14 ,,C,12,H,22,N,1,O,14,,,,,,,,,,,,,,,,,
      52, 370.107178,  3.9497, 1103366.75,  369.6939,  370,   1,  -8, 306,  20, 3.0,,O12 13C1 ,,C,12,H,21,,,O,12,,,,,13C,1, ,,,,,,,,,,
      53, 580.342000,  1.2964,  663041.65,  579.6940,  580,   1,  -8, 306,  20, 3.0,,O12 13C1 ,,C,27,H,51,,,O,12,,,,,13C,1, ,,,,,,,,,,
      54, 608.373313,  1.4071,  666487.53,  607.6940,  608,   1,  -8, 306,  20, 3.0,,O12 13C1 ,,C,29,H,55,,,O,12,,,,,13C,1, ,,,,,,,,,,
      55, 384.122831,  3.7755, 1055649.84,  383.6939,  384,   1,  -8, 306,  21, 0.0,,,No Hit
      56, 578.165536,  0.2183,  574088.31,  577.5200,  578,   1, -10, 480,  22, 4.0,,O19 13C1 ,*,C,19,H,33,,,O,19,,,,,13C,1, ,,,,,,,,,,
      57, 592.181178,  0.7940,  694732.23,  591.5200,  592,   1, -10, 480,  22, 4.0,,O19 13C1 ,*,C,20,H,35,,,O,19,,,,,13C,1, ,,,,,,,,,,
      58, 606.196826,  0.4255,  676320.41,  605.5200,  606,   1, -10, 480,  22, 4.0,,O19 13C1 ,*,C,21,H,37,,,O,19,,,,,13C,1, ,,,,,,,,,,
      59, 620.212493,  3.5965,  671218.04,  619.5200,  620,   1, -10, 480,  22, 4.0,,O19 13C1 ,*,C,22,H,39,,,O,19,,,,,13C,1, ,,,,,,,,,,
      60, 334.086059,  3.0265, 1259701.73,  333.7130,  334,   1,  -2, 287,  23, 5.0,,O10 13C1 ,,C,12,H,17,,,O,10,,,,,13C,1, ,,,,,,,,,,
      61, 348.101702,  2.5929, 1184036.91,  347.7130,  348,   1,  -2, 287,  23, 5.0,,O10 13C1 ,,C,13,H,19,,,O,10,,,,,13C,1, ,,,,,,,,,,
      62, 376.132996,  0.7988, 1106740.01,  375.7130,  376,   1,  -2, 287,  23, 5.0,,O10 13C1 ,,C,15,H,23,,,O,10,,,,,13C,1, ,,,,,,,,,,
      63, 544.320846,  3.3506,  711361.76,  543.7131,  544,   1,  -2, 287,  23, 5.0,,O10 13C1 ,,C,27,H,47,,,O,10,,,,,13C,1, ,,,,,,,,,,
      64, 572.352166,  3.5259,  691480.39,  571.7131,  572,   1,  -2, 287,  23, 5.0,,O10 13C1 ,,C,29,H,51,,,O,10,,,,,13C,1, ,,,,,,,,,,
      65, 436.117754,  0.3019,  973287.00,  435.6308,  436,   1, -12, 369,  24, 0.0,,,No Hit
      66, 450.133403,  3.4873,  918753.54,  449.6308,  450,   1, -12, 369,  24, 0.0,,,No Hit
      67, 828.270894,  3.1970,  527365.37,  827.3461,  828,   1, -13,-346,  25, 0.0,,,No Hit
      68, 712.223495,  2.8487,  611742.51,  711.4283,  712,   1,  -3,-428,  26, 4.0,,O23 13C1 ,*,C,24,H,43,,,O,23,,,,,13C,1, ,,,,,,,,,,
      69, 726.239177,  3.1583,  600325.62,  725.4283,  726,   1,  -3,-428,  26, 4.0,,O23 13C1 ,*,C,25,H,45,,,O,23,,,,,13C,1, ,,,,,,,,,,
      70, 922.458416,  0.1932,  445085.78,  921.4284,  922,   1,  -3,-429,  26, 4.0,,O23 13C1 ,*,C,39,H,73,,,O,23,,,,,13C,1, ,,,,,,,,,,
      71, 950.489779,  0.1607,  519222.68,  949.4285,  950,   1,  -3,-429,  26, 4.0,,O23 13C1 ,*,C,41,H,77,,,O,23,,,,,13C,1, ,,,,,,,,,,
      72, 378.088943,  3.1031, 1082950.56,  377.6668,  378,   1, -14, 333,  27, 1.0,,N1 O14 ,,C,10,H,20,N,1,O,14,,,,,,,,,,,,,,,,,
      73, 360.122831,  3.0635, 1134755.29,  359.7207,  360,   1,  -4, 279,  28, 0.0,,,No Hit
      74, 684.228560,  3.0498,  615460.84,  683.4646,  684,   1,  -3,-465,  29, 0.0,,,No Hit
      75, 522.175679,  3.0049,  748515.38,  521.5926,  522,   1, -10, 407,  30, 0.0,,,No Hit
      76, 324.059453,  2.7782, 1302562.30,  323.6976,  324,   1, -12, 302,  31, 0.0,,,No Hit
      77, 538.149458,  0.3056,  724482.28,  537.5486,  538,   1,  -8, 451,  32, 7.0,,O16 13C1 ,,C,20,H,29,,,O,16,,,,,13C,1, ,,,,,,,,,,
      78, 552.165095,  0.1806,  754994.69,  551.5486,  552,   1,  -8, 451,  32, 7.0,,O16 13C1 ,,C,21,H,31,,,O,16,,,,,13C,1, ,,,,,,,,,,
      79, 566.180761,  2.7132,  704662.70,  565.5486,  566,   1,  -8, 451,  32, 7.0,,O16 13C1 ,,C,22,H,33,,,O,16,,,,,13C,1, ,,,,,,,,,,
      80, 454.128309,  0.5251,  915819.34,  453.6213,  454,   1,  -8, 379,  33, 0.0,,,No Hit
      81, 468.143966,  2.6411,  875683.09,  467.6213,  468,   1,  -8, 379,  33, 0.0,,,No Hit
      82, 648.207410,  2.4982,  649071.21,  647.4837,  648,   1, -11,-484,  34, 0.0,,,No Hit
      83, 248.080028,  2.4578, 1610963.39,  247.8030,  248,   1,  -4, 197,  35, 0.0,,,No Hit
      84, 372.101715,  0.2641, 1050198.38,  371.6862,  372,   1,  -6, 314,  36, 0.0,,,No Hit
      85, 386.117350,  2.3394, 1050801.40,  385.6862,  386,   1,  -6, 314,  36, 0.0,,,No Hit
      86, 288.080594,  2.3003, 1472751.44,  287.7589,  288,   1,  -6, 241,  37, 0.0,,,No Hit
      87, 484.299642,  0.2630,  840095.92,  483.7589,  484,   1,  -6, 241,  37, 0.0,,,No Hit
      88, 532.160019,  1.8740,  741904.66,  531.5658,  532,   1, -14, 434,  38, 4.0,,O17 13C1 ,*,C,18,H,31,,,O,17,,,,,13C,1, ,,,,,,,,,,
      89, 546.175674,  2.0192,  735937.44,  545.5658,  546,   1, -14, 434,  38, 4.0,,O17 13C1 ,*,C,19,H,33,,,O,17,,,,,13C,1, ,,,,,,,,,,
      90, 742.394949,  0.2169,  573549.27,  741.5660,  742,   1, -14, 434,  38, 4.0,,O17 13C1 ,*,C,33,H,61,,,O,17,,,,,13C,1, ,,,,,,,,,,
      91, 770.426203,  0.2040,  573588.70,  769.5660,  770,   1, -14, 434,  38, 4.0,,O17 13C1 ,*,C,35,H,65,,,O,17,,,,,13C,1, ,,,,,,,,,,
      92, 566.157420,  1.9712,  711202.48,  565.5253,  566,   1,  -8, 475,  39, 3.0,,N1 O19 ,,C,18,H,32,N,1,O,19,,,,,,,,,,,,,,,,,
      93, 846.281517,  1.9570,  528057.88,  845.3366,  846,   1,  -9,-337,  40, 0.0,,,No Hit
      94, 612.186263,  1.8833,  671733.31,  611.5027,  612,   1,  -4, 497,  41, 0.0,,,No Hit
      95, 432.122831,  1.8245,  963375.90,  431.6403,  432,   1,  -2, 360,  42, 0.0,,,No Hit
      96, 386.093990,  1.8023, 1048220.73,  385.6629,  386,   1,  -6, 337,  43, 3.0,,N1 O13 ,,C,12,H,20,N,1,O,13,,,,,,,,,,,,,,,,,
      97, 988.766747,  0.1484,  344400.65,  987.6627,  988,   1,  -6, 337,  43, 3.0,,N1 O13 ,,C,55,H,106,N,1,O,13,,,,,,,,,,,,,,,,,
      98, 574.170599,  0.4051,  695233.89,  573.5295,  574,   1, -14, 470,  44, 5.0,,O18 13C1 ,*,C,20,H,33,,,O,18,,,,,13C,1, ,,,,,,,,,,
      99, 588.186288,  0.1749,  750030.13,  587.5295,  588,   1, -14, 470,  44, 5.0,,O18 13C1 ,*,C,21,H,35,,,O,18,,,,,13C,1, ,,,,,,,,,,
     100, 602.201914,  1.7868,  690225.31,  601.5295,  602,   1, -14, 470,  44, 5.0,,O18 13C1 ,*,C,22,H,37,,,O,18,,,,,13C,1, ,,,,,,,,,,
     101, 754.234031,  0.4189,  589142.79,  753.3919,  754,   1,  -3,-392,  45, 5.0,,O24 13C1 ,*,C,26,H,45,,,O,24,,,,,13C,1, ,,,,,,,,,,
     102, 768.249734,  0.1709,  632052.09,  767.3919,  768,   1,  -3,-392,  45, 5.0,,O24 13C1 ,*,C,27,H,47,,,O,24,,,,,13C,1, ,,,,,,,,,,
     103, 782.265415,  1.6867,  583245.10,  781.3920,  782,   1,  -3,-392,  45, 5.0,,O24 13C1 ,*,C,28,H,49,,,O,24,,,,,13C,1, ,,,,,,,,,,
     104, 540.141785,  1.6831,  751860.14,  539.5387,  540,   1,  -6, 461,  46, 2.0,,N1 O19 ,,C,16,H,30,N,1,O,19,,,,,,,,,,,,,,,,,
     105, 548.170197,  1.6325,  731886.43,  547.5581,  548,   1, -12, 442,  47, 0.0,,,No Hit
     106, 496.138870,  1.6198,  779514.71,  495.5849,  496,   1,  -8, 415,  48, 6.0,,O15 13C1 ,,C,18,H,27,,,O,15,,,,,13C,1, ,,,,,,,,,,
     107, 538.185842,  0.2375,  767345.67,  537.5849,  538,   1,  -8, 415,  48, 6.0,,O15 13C1 ,,C,21,H,33,,,O,15,,,,,13C,1, ,,,,,,,,,,
     108, 706.373802,  0.4591,  617895.67,  705.5851,  706,   1,  -8, 415,  48, 6.0,,O15 13C1 ,,C,33,H,57,,,O,15,,,,,13C,1, ,,,,,,,,,,
     109, 734.405109,  0.4551,  596541.17,  733.5851,  734,   1,  -8, 415,  48, 6.0,,O15 13C1 ,,C,35,H,61,,,O,15,,,,,13C,1, ,,,,,,,,,,
     110, 358.107182,  1.6019, 1151538.52,  357.7073,  358,   1,  -6, 293,  49, 0.0,,,No Hit
     111, 510.154563,  1.5889,  805489.23,  509.5849,  510,   1,  -8, 415,  50, 0.0,,,No Hit
     112, 418.128314,  1.5839,  981915.42,  417.6615,  418,   1,  -2, 339,  51, 0.0,,,No Hit
     113, 292.075509,  0.5249, 1475496.76,  291.7494,  292,   1,  -2, 251,  52, 4.0,,O9 13C1 ,,C,10,H,15,,,O,9,,,,,13C,1, ,,,,,,,,,,
     114, 306.091157,  1.5678, 1379447.76,  305.7494,  306,   1,  -2, 251,  52, 4.0,,O9 13C1 ,,C,11,H,17,,,O,9,,,,,13C,1, ,,,,,,,,,,
     115, 516.325937,  0.3167,  766857.42,  515.7494,  516,   1,  -2, 251,  52, 4.0,,O9 13C1 ,,C,26,H,47,,,O,9,,,,,13C,1, ,,,,,,,,,,
     116, 544.357139,  0.3623,  715313.12,  543.7493,  544,   1,  -2, 251,  52, 4.0,,O9 13C1 ,,C,28,H,51,,,O,9,,,,,13C,1, ,,,,,,,,,,
     117, 616.181133,  0.2194,  645128.18,  615.4931,  616,   1,  -1,-493,  53, 0.0,,,No Hit
     118, 630.196838,  1.5582,  661909.41,  629.4932,  630,   1,  -1,-493,  53, 0.0,,,No Hit
     119, 810.260338,  1.5048,  566158.51,  809.3556,  810,   1,  -3,-356,  54, 0.0,,,No Hit
     120, 514.283315,  1.4401,  241168.73,  513.7091,  514,   1,  -4, 291,  55, 0.0,,,No Hit
     121, 874.276475,  1.2714,  509095.57,  873.3003,  874,   1,  -9,-300,  56, 9.0,,N3 O22 S1 ,,C,33,H,52,N,3,O,22,S,1,,,,,,,,,,,,,,,
     122, 888.292150,  1.4196,  509800.16,  887.3003,  888,   1,  -9,-300,  56, 9.0,,N3 O22 S1 ,,C,34,H,54,N,3,O,22,S,1,,,,,,,,,,,,,,,
     123, 440.079651,  1.3846,  935972.60,  439.5883,  440,   1,  -8, 412,  57, 0.0,,,No Hit
     124, 990.323885,  1.3766,  445925.47,  989.2181,  990,   1,  -5,-218,  58,37.0,,N3 O12 ,*,C,59,H,48,N,3,O,12,,,,,,,,,,,,,,,,,
     125, 318.070021,  0.2735, 1284252.79,  317.7149,  318,   1,  -4, 285,  59, 0.0,,,No Hit
     126, 332.085668,  1.3065, 1254075.21,  331.7149,  332,   1,  -4, 285,  59, 0.0,,,No Hit
     127, 350.072865,  1.2779, 1188778.92,  349.6820,  350,   1, -14, 318,  60, 5.0,,N1 O11 ,,C,12,H,16,N,1,O,11,,,,,,,,,,,,,,,,,
     128, 298.156346,  0.2278, 1366397.87,  297.8234,  298,   1, -10, 177,  61, 4.0,,O3 S1 13C1 ,,C,15,H,25,,,O,3,S,1,,,13C,1, ,,,,,,,,,,
     129, 312.171994,  0.8449, 1325174.74,  311.8234,  312,   1, -10, 177,  61, 4.0,,O3 S1 13C1 ,,C,16,H,27,,,O,3,S,1,,,13C,1, ,,,,,,,,,,
     130, 326.187641,  1.2190, 1281970.88,  325.8234,  326,   1, -10, 177,  61, 4.0,,O3 S1 13C1 ,,C,17,H,29,,,O,3,S,1,,,13C,1, ,,,,,,,,,,
     131, 464.330258,  1.2176,  292127.43,  463.8118,  464,   1, -12, 188,  62, 0.0,,,No Hit
     132, 398.233658,  1.1852, 1024282.19,  397.7890,  398,   1,  -8, 211,  63, 9.0,,N1 O4 ,,C,24,H,32,N,1,O,4,,,,,,,,,,,,,,,,,
     133, 400.096619,  0.2751, 1064973.91,  399.6499,  400,   1,  -6, 350,  64, 0.0,,,No Hit
     134, 414.112273,  1.1539,  978097.85,  413.6499,  414,   1,  -6, 350,  64, 0.0,,,No Hit
     135, 792.249768,  1.1124,  568088.86,  791.3652,  792,   1,  -7,-365,  65, 0.0,,,No Hit
     136, 252.059468,  1.1075, 1633415.59,  251.7780,  252,   1, -14, 222,  66, 0.0,,,No Hit
     137, 642.177181,  1.0894,  614598.88,  641.4602,  642,   1,  -3,-460,  67,25.0,,N1 O9 ,*,C,38,H,28,N,1,O,9,,,,,,,,,,,,,,,,,
     138, 180.059489,  1.0825, 2258204.78,  179.8584,  180,   1,  -2, 142,  68, 0.0,,,No Hit
     139, 238.064951,  0.3140, 1711930.10,  237.7991,  238,   1, -14, 201,  69, 2.0,,O8 13C1 ,,C,7,H,13,,,O,8,,,,,13C,1, ,,,,,,,,,,
     140, 252.080598,  0.2613, 1724059.92,  251.7991,  252,   1, -14, 201,  69, 2.0,,O8 13C1 ,,C,8,H,15,,,O,8,,,,,13C,1, ,,,,,,,,,,
     141, 434.284042,  0.5532,  952616.53,  433.7991,  434,   1, -14, 201,  69, 2.0,,O8 13C1 ,,C,21,H,41,,,O,8,,,,,13C,1, ,,,,,,,,,,
     142, 462.315344,  1.0755,  877523.21,  461.7991,  462,   1, -14, 201,  69, 2.0,,O8 13C1 ,,C,23,H,45,,,O,8,,,,,13C,1, ,,,,,,,,,,
     143, 360.078383,  1.0735, 1137344.83,  359.6763,  360,   1,  -4, 324,  70, 2.0,,N1 O13 ,,C,10,H,18,N,1,O,13,,,,,,,,,,,,,,,,,
     144, 416.140948,  0.2970,  960073.27,  415.6763,  416,   1,  -4, 324,  70, 2.0,,N1 O13 ,,C,14,H,26,N,1,O,13,,,,,,,,,,,,,,,,,
     145, 774.239196,  1.0648,  584946.12,  773.3747,  774,   1, -11,-375,  71, 0.0,,,No Hit
     146, 694.212919,  1.0036,  613006.71,  693.4378,  694,   1,  -7,-438,  72, 0.0,,,No Hit
     147, 708.228590,  1.0308,  607589.35,  707.4378,  708,   1,  -7,-438,  72, 0.0,,,No Hit
     148,1008.334575,  1.0244,  435664.50, 1007.2087, 1008,   1,  -1,-209,  73,36.0,,N3 O13 ,*,C,59,H,50,N,3,O,13,,,,,,,,,,,,,,,,,
     149, 714.198385,  1.0142,  587118.03,  713.4009,  714,   1,  -1,-401,  74,26.0,,N1 O11 ,*,C,41,H,32,N,1,O,11,,,,,,,,,,,,,,,,,
     150, 594.175677,  1.0042,  699528.17,  593.5122,  594,   1,  -8, 488,  75, 0.0,,,No Hit
     151, 804.230127,  1.0017,  541067.26,  803.3322,  804,   1,  -9,-332,  76,26.0,,N1 O14 ,*,C,44,H,38,N,1,O,14,,,,,,,,,,,,,,,,,
     152, 516.280190,  0.9900,  735300.47,  515.7037,  516,   1,  -2, 296,  77, 5.0,,N1 O7 34S1 ,#,C,26,H,44,N,1,O,7,,,,,,,34S,1, ,,,,,,,,
     153, 658.191768,  0.9815,  649469.15,  657.4569,  658,   1,  -1,-457,  78, 0.0,,,No Hit
     154, 552.145437,  0.9801,  704432.86,  551.5289,  552,   1,  -8, 471,  79,25.0,,N1 O6 ,*,C,35,H,22,N,1,O,6,,,,,,,,,,,,,,,,,
     155, 368.106788,  0.9723, 1111928.84,  367.6958,  368,   1, -10, 304,  80, 0.0,,,No Hit
     156, 916.376226,  0.9690,  358214.33,  915.3530,  916,   1,  -9,-353,  81,21.0,,N1 O16 ,*,C,49,H,58,N,1,O,16,,,,,,,,,,,,,,,,,
     157, 520.160016,  0.9685,  782672.10,  519.5792,  520,   1, -12, 421,  82, 0.0,,,No Hit
     158, 672.207425,  0.9640,  629292.41,  671.4569,  672,   1,  -1,-457,  83, 0.0,,,No Hit
     159, 342.070009,  0.9554, 1216277.51,  341.6881,  342,   1,  -8, 312,  84, 0.0,,,No Hit
     160, 514.281091,  0.9513,  769468.39,  513.7069,  514,   1,  -4, 293,  85,10.0,,N1 O7 ,*,C,29,H,40,N,1,O,7,,,,,,,,,,,,,,,,,
     161, 266.151257,  0.9476, 1569576.82,  265.8541,  266,   1, -14, 146,  86, 0.0,,,No Hit
     162, 324.057262,  0.9457, 1305554.63,  323.6954,  324,   1, -12, 305,  87, 4.0,,N1 O11 ,,C,10,H,14,N,1,O,11,,,,,,,,,,,,,,,,,
     163, 730.511170,  0.1675,  424107.77,  729.6955,  730,   1, -12, 304,  87, 4.0,,N1 O11 ,,C,39,H,72,N,1,O,11,,,,,,,,,,,,,,,,,
     164, 380.085995,  0.9400, 1045304.91,  379.6616,  380,   1, -12, 338,  88, 0.0,,,No Hit
     165, 602.132516,  0.9353,  672934.17,  601.4602,  602,   1,  -1,-460,  89, 7.0,,N3 O19 ,,C,19,H,28,N,3,O,19,,,,,,,,,,,,,,,,,
     166, 512.149056,  0.9236,  770227.67,  511.5772,  512,   1,  -6, 423,  90, 0.0,,,No Hit
     167, 394.107164,  0.3202,  952104.28,  393.6671,  394,   1, -12, 333,  91, 0.0,,,No Hit
     168, 422.138486,  0.9206,  978324.50,  421.6671,  422,   1, -12, 333,  91, 0.0,,,No Hit
     169, 432.143959,  0.9164,  967370.50,  431.6614,  432,   1,  -2, 339,  92, 0.0,,,No Hit
     170, 728.233674,  0.8950,  622145.84,  727.4206,  728,   1,  -1,-421,  93, 0.0,,,No Hit
     171, 516.291104,  0.8869,  783486.61,  515.7146,  516,   1,  -2, 285,  94, 5.0,,N1 O7 S1 13C2 ,#,C,24,H,44,N,1,O,7,S,1,,,13C,2, ,,,,,,,,,,
     172, 270.070026,  0.8852, 1563804.24,  269.7685,  270,   1, -10, 231,  95, 0.0,,,No Hit
     173, 533.602002,  0.8786,  780792.26,  533.0062,  534,   1, -13,  -6,  96, 0.0,,,No Hit
     174, 430.056830,  0.8777,  969453.13,  429.5766,  430,   1,  -4, 423,  97,18.0,,N1 O8 ,,C,23,H,12,N,1,O,8,,,,,,,,,,,,,,,,,
     175, 702.194726,  0.8461,  614328.20,  701.4107,  702,   1, -13,-411,  98, 3.0,,N1 O24 ,*,C,22,H,40,N,1,O,24,,,,,,,,,,,,,,,,,
     176, 294.091156,  0.8373, 1449019.21,  293.7628,  294,   1, -14, 237,  99, 3.0,,O9 13C1 ,,C,10,H,17,,,O,9,,,,,13C,1, ,,,,,,,,,,
     177, 518.341564,  0.3179,  714602.54,  517.7628,  518,   1, -14, 237,  99, 3.0,,O9 13C1 ,,C,26,H,49,,,O,9,,,,,13C,1, ,,,,,,,,,,
     178, 546.372911,  0.3546,  723823.07,  545.7629,  546,   1, -14, 237,  99, 3.0,,O9 13C1 ,,C,28,H,53,,,O,9,,,,,13C,1, ,,,,,,,,,,
     179, 580.181168,  0.8326,  691442.45,  579.5334,  580,   1,  -8, 467, 100, 0.0,,,No Hit
     180, 650.259316,  0.2186,  683265.90,  649.5333,  650,   1,  -8, 467, 100, 0.0,,,No Hit
     181, 360.080571,  0.8304, 1141040.40,  359.6785,  360,   1,  -4, 321, 101, 0.0,,,No Hit
     182, 400.117751,  0.8205, 1045529.47,  399.6710,  400,   1,  -6, 329, 102, 0.0,,,No Hit
     183, 576.281411,  0.8120,  676010.54,  575.6380,  576,   1, -12, 362, 103,10.0,,N1 O10 ,*,C,30,H,42,N,1,O,10,,,,,,,,,,,,,,,,,
     184, 512.125719,  0.7835,  767742.62,  511.5539,  512,   1,  -6, 446, 104, 6.0,,N1 O16 ,,C,18,H,26,N,1,O,16,,,,,,,,,,,,,,,,,
     185, 242.051758,  0.7725, 1659949.48,  241.7815,  242,   1, -10, 218, 105, 1.0,,N1 O9 ,,C,6,H,12,N,1,O,9,,,,,,,,,,,,,,,,,
     186, 350.096223,  0.7685, 1163480.34,  349.7053,  350,   1, -14, 295, 106, 0.0,,,No Hit
     187, 966.784743,  0.3330,  417068.46,  965.7053,  966,   1, -14, 295, 106, 0.0,,,No Hit
     188, 736.223416,  0.1813,  646175.21,  735.4014,  736,   1,  -7,-401, 107,22.0,,N1 O5 S3 ,,C,42,H,42,N,1,O,5,S,3,,,,,,,,,,,,,,,
     189, 764.254830,  0.7631,  562557.45,  763.4015,  764,   1,  -7,-402, 107,22.0,,N1 O5 S3 ,,C,44,H,46,N,1,O,5,S,3,,,,,,,,,,,,,,,
     190, 916.287110,  0.1846,  460256.54,  915.2640,  916,   1,  -9,-264, 108,37.0,,N3 O10 ,*,C,56,H,42,N,3,O,10,,,,,,,,,,,,,,,,,
     191, 944.318406,  0.7624,  477707.04,  943.2640,  944,   1,  -9,-264, 108,37.0,,N3 O10 ,*,C,58,H,46,N,3,O,10,,,,,,,,,,,,,,,,,
     192, 512.476588,  0.2450,  742933.67,  511.9044,  512,   1,  -6,  96, 109, 1.0,,O4 13C1 ,,C,31,H,63,,,O,4,,,,,13C,1, ,,,,,,,,,,
     193, 540.507923,  0.7462,  735583.97,  539.9044,  540,   1,  -6,  96, 109, 1.0,,O4 13C1 ,,C,33,H,67,,,O,4,,,,,13C,1, ,,,,,,,,,,
     194, 568.539241,  0.5249,  711209.05,  567.9044,  568,   1,  -6,  96, 109, 1.0,,O4 13C1 ,,C,35,H,71,,,O,4,,,,,13C,1, ,,,,,,,,,,
     195, 322.086062,  0.4409, 1270564.64,  321.7264,  322,   1, -14, 274, 110, 4.0,,O10 13C1 ,,C,11,H,17,,,O,10,,,,,13C,1, ,,,,,,,,,,
     196, 336.101709,  0.2419, 1275660.11,  335.7264,  336,   1, -14, 274, 110, 4.0,,O10 13C1 ,,C,12,H,19,,,O,10,,,,,13C,1, ,,,,,,,,,,
     197, 378.148642,  0.7430, 1037615.25,  377.7264,  378,   1, -14, 274, 110, 4.0,,O10 13C1 ,,C,15,H,25,,,O,10,,,,,13C,1, ,,,,,,,,,,
     198, 916.340293,  0.7359,  396394.82,  915.3172,  916,   1,  -9,-317, 111,21.0,,N1 O12 S2 ,*,C,49,H,58,N,1,O,12,S,2,,,,,,,,,,,,,,,
     199, 828.269070,  0.7353,  201121.62,  827.3443,  828,   1, -13,-344, 112,40.0,,N3 O2 S1 ,*,C,57,H,38,N,3,O,2,S,1,,,,,,,,,,,,,,,
     200, 364.096612,  0.7269, 1127511.12,  363.6901,  364,   1, -14, 310, 113, 0.0,,,No Hit
     201, 163.857815,  0.7247, 2386309.16,  163.6749,  164,   1,  -4, 325, 114, 0.0,,,No Hit
     202, 576.165121,  0.7212,  664007.11,  575.5218,  576,   1, -12, 478, 115, 0.0,,,No Hit
     203, 916.379045,  0.7207,  585020.41,  915.3559,  916,   1,  -9,-356, 116,16.0,,N1 O16 S1 ,*,C,46,H,62,N,1,O,16,S,1,,,,,,,,,,,,,,,
     204, 548.146850,  0.7042,  720470.58,  547.5348,  548,   1, -12, 465, 117, 4.0,,N1 O18 ,,C,18,H,30,N,1,O,18,,,,,,,,,,,,,,,,,
     205, 624.166617,  0.6921,  665973.22,  623.4697,  624,   1,  -7,-470, 118,26.0,,N1 O8 ,*,C,38,H,26,N,1,O,8,,,,,,,,,,,,,,,,,
     206, 352.096618,  0.4022, 1213312.82,  351.7035,  352,   1, -12, 296, 119, 4.0,,O11 13C1 ,,C,12,H,19,,,O,11,,,,,13C,1, ,,,,,,,,,,
     207, 366.112267,  0.3698, 1091398.44,  365.7035,  366,   1, -12, 296, 119, 4.0,,O11 13C1 ,,C,13,H,21,,,O,11,,,,,13C,1, ,,,,,,,,,,
     208, 394.143560,  0.6861, 1037107.30,  393.7035,  394,   1, -12, 296, 119, 4.0,,O11 13C1 ,,C,15,H,25,,,O,11,,,,,13C,1, ,,,,,,,,,,
     209, 504.164115,  0.6798, 1138207.09,  503.6012,  504,   1, -14, 399, 120,20.0,,N1 O3 S1 ,,C,32,H,26,N,1,O,3,S,1,,,,,,,,,,,,,,,
     210, 972.313289,  0.6744,  479151.32,  971.2277,  972,   1,  -9,-228, 121,11.0,,N3 O24 S1 ,,C,38,H,58,N,3,O,24,S,1,,,,,,,,,,,,,,,
     211, 300.059466,  0.2174, 1455259.87,  299.7244,  300,   1,  -8, 276, 122, 0.0,,,No Hit
     212, 314.075110,  0.6740, 1328718.61,  313.7244,  314,   1,  -8, 276, 122, 0.0,,,No Hit
     213, 954.302722,  0.6556,  464273.12,  953.2372,  954,   1, -13,-237, 123,12.0,,N3 O23 S1 ,,C,38,H,56,N,3,O,23,S,1,,,,,,,,,,,,,,,
     214, 234.048907,  0.6502, 1723229.94,  233.7876,  234,   1,  -4, 212, 124, 0.0,,,No Hit
     215, 414.133406,  0.6388, 1041030.71,  413.6710,  414,   1,  -6, 329, 125, 0.0,,,No Hit
     216, 448.138879,  0.6289,  916694.46,  447.6385,  448,   1, -14, 361, 126, 0.0,,,No Hit
     217, 846.279597,  0.6272,  208564.29,  845.3347,  846,   1,  -9,-335, 127,39.0,,N3 O3 S1 ,*,C,57,H,40,N,3,O,3,S,1,,,,,,,,,,,,,,,
     218, 456.105134,  0.6143,  928562.16,  455.5959,  456,   1,  -6, 404, 128, 0.0,,,No Hit
     219, 730.234082,  0.6070,  589506.00,  729.4187,  730,   1, -13,-419, 129, 0.0,,,No Hit
     220, 340.096623,  0.6008, 1263704.91,  339.7169,  340,   1, -10, 283, 130, 0.0,,,No Hit
     221, 456.143966,  0.6000,  924684.63,  455.6347,  456,   1,  -6, 365, 131, 0.0,,,No Hit
     222, 804.731789,  0.5991,  529201.23,  803.8333,  804,   1,  -8, 167, 132, 0.0,,,No Hit
     223, 378.112266,  0.5939, 1063919.20,  377.6901,  378,   1, -14, 310, 133, 0.0,,,No Hit
     224, 316.075501,  0.3656, 1348526.41,  315.7226,  316,   1,  -6, 277, 134, 6.0,,O9 13C1 ,,C,12,H,15,,,O,9,,,,,13C,1, ,,,,,,,,,,
     225, 330.091148,  0.5910, 1295821.35,  329.7226,  330,   1,  -6, 277, 134, 6.0,,O9 13C1 ,,C,13,H,17,,,O,9,,,,,13C,1, ,,,,,,,,,,
     226, 358.122425,  0.3331, 1169262.95,  357.7226,  358,   1,  -6, 277, 134, 6.0,,O9 13C1 ,,C,15,H,21,,,O,9,,,,,13C,1, ,,,,,,,,,,
     227, 526.310300,  0.5216,  799013.92,  525.7226,  526,   1,  -6, 277, 134, 6.0,,O9 13C1 ,,C,27,H,45,,,O,9,,,,,13C,1, ,,,,,,,,,,
     228, 554.341593,  0.5453,  701912.31,  553.7226,  554,   1,  -6, 277, 134, 6.0,,O9 13C1 ,,C,29,H,49,,,O,9,,,,,13C,1, ,,,,,,,,,,
     229, 304.075505,  0.5875, 1384239.40,  303.7360,  304,   1,  -4, 264, 135, 0.0,,,No Hit
     230, 916.344247,  0.5846,  233917.02,  915.3211,  916,   1,  -9,-321, 136,16.0,,N1 O12 S3 ,,C,46,H,62,N,1,O,12,S,3,,,,,,,,,,,,,,,
     231, 486.110097,  0.5841,  834481.37,  485.5673,  486,   1,  -4, 433, 137, 5.0,,N1 O16 ,,C,16,H,24,N,1,O,16,,,,,,,,,,,,,,,,,
     232, 378.091132,  0.5818, 1060909.46,  377.6690,  378,   1, -14, 331, 138, 0.0,,,No Hit
     233, 744.249729,  0.5816,  585256.14,  743.4187,  744,   1, -13,-419, 139, 0.0,,,No Hit
     234, 396.101700,  0.5778, 1037124.64,  395.6594,  396,   1, -10, 341, 140, 0.0,,,No Hit
     235, 486.153682,  0.5664,  271127.89,  485.6109,  486,   1,  -4, 389, 141, 0.0,,,No Hit
     236, 728.210335,  0.5611,  608410.89,  727.3973,  728,   1,  -1,-397, 142, 4.0,,N1 O24 ,*,C,24,H,42,N,1,O,24,,,,,,,,,,,,,,,,,
     237, 910.413559,  0.2630,  383654.11,  909.3970,  910,   1,  -1,-397, 142, 4.0,,N1 O24 ,*,C,37,H,68,N,1,O,24,,,,,,,,,,,,,,,,,
     238, 340.203285,  0.5606, 1190980.44,  339.8234,  340,   1, -10, 177, 143, 0.0,,,No Hit
     239, 916.322139,  0.5503,  487776.61,  915.2990,  916,   1,  -9,-299, 144,49.0,,N1 O2 ,*,C,69,H,42,N,1,O,2,,,,,,,,,,,,,,,,,
     240, 710.223133,  0.5501,  618901.83,  709.4301,  710,   1,  -5,-430, 145, 0.0,,,No Hit
     241, 782.263853,  0.5485,  235913.88,  781.3904,  782,   1,  -3,-390, 146,22.0,,N1 O11 S1 ,*,C,43,H,44,N,1,O,11,S,1,,,,,,,,,,,,,,,
     242, 786.219528,  0.5456,  559675.03,  785.3417,  786,   1, -13,-342, 147,27.0,,N1 O13 ,*,C,44,H,36,N,1,O,13,,,,,,,,,,,,,,,,,
     243, 288.059469,  0.1968, 1550612.77,  287.7378,  288,   1,  -6, 262, 148,10.0,,O6 13C1 ,*,C,14,H,11,,,O,6,,,,,13C,1, ,,,,,,,,,,
     244, 302.075112,  0.2872, 1307777.21,  301.7378,  302,   1,  -6, 262, 148,10.0,,O6 13C1 ,*,C,15,H,13,,,O,6,,,,,13C,1, ,,,,,,,,,,
     245, 316.090761,  0.5437, 1312913.97,  315.7378,  316,   1,  -6, 262, 148,10.0,,O6 13C1 ,*,C,16,H,15,,,O,6,,,,,13C,1, ,,,,,,,,,,
     246, 916.352274,  0.5368,  601723.12,  915.3291,  916,   1,  -9,-329, 149,30.0,,N1 O9 S1 ,*,C,56,H,54,N,1,O,9,S,1,,,,,,,,,,,,,,,
     247, 542.138877,  0.5323,  798118.39,  541.5336,  542,   1,  -4, 466, 150,19.0,,N3 O6 S1 ,,C,29,H,24,N,3,O,6,S,1,,,,,,,,,,,,,,,
     248, 478.128308,  0.5301,  841929.59,  477.5945,  478,   1, -12, 405, 151, 7.0,,O14 13C1 ,,C,18,H,25,,,O,14,,,,,13C,1, ,,,,,,,,,,
     249, 688.363197,  0.1633,  653582.81,  687.5946,  688,   1, -12, 405, 151, 7.0,,O14 13C1 ,,C,33,H,55,,,O,14,,,,,13C,1, ,,,,,,,,,,
     250, 716.394604,  0.1600,  614636.55,  715.5947,  716,   1, -12, 405, 151, 7.0,,O14 13C1 ,,C,35,H,59,,,O,14,,,,,13C,1, ,,,,,,,,,,
     251, 320.085674,  0.3280, 1321891.60,  319.7283,  320,   1,  -2, 272, 152, 0.0,,,No Hit
     252, 334.101321,  0.5296, 1239323.67,  333.7283,  334,   1,  -2, 272, 152, 0.0,,,No Hit
     253, 522.131233,  0.5260,  762160.21,  521.5482,  522,   1, -10, 452, 153, 3.0,,N1 O18 ,,C,16,H,28,N,1,O,18,,,,,,,,,,,,,,,,,
     254, 578.193831,  0.2040,  635587.42,  577.5482,  578,   1, -10, 452, 153, 3.0,,N1 O18 ,,C,20,H,36,N,1,O,18,,,,,,,,,,,,,,,,,
     255, 464.328364,  0.5249,  815603.78,  463.8099,  464,   1, -12, 190, 154,10.0,,N3 O2 ,,C,29,H,42,N,3,O,2,,,,,,,,,,,,,,,,,
     256, 338.111712,  0.5185, 1254079.80,  337.7342,  338,   1, -12, 266, 155, 0.0,,,No Hit
     257, 714.700038,  0.5176,  600370.74,  713.9020,  714,   1, -14,  98, 156, 0.0,,,No Hit
     258, 820.244681,  0.5141,  544111.54,  819.3288,  820,   1,  -7,-329, 157, 0.0,,,No Hit
     259, 756.228642,  0.5128,  570618.54,  755.3843,  756,   1,  -1,-384, 158, 0.0,,,No Hit
     260, 296.105861,  0.5125, 1365837.06,  295.7752,  296,   1, -12, 225, 159, 0.0,,,No Hit
     261, 562.170575,  0.5110,  753606.62,  561.5429,  562,   1, -12, 457, 160, 0.0,,,No Hit
     262, 570.156003,  0.5099,  634169.56,  569.5194,  570,   1,  -4, 481, 161,24.0,,N1 O7 ,*,C,35,H,24,N,1,O,7,,,,,,,,,,,,,,,,,
     263, 558.154544,  0.5099,  721714.76,  557.5313,  558,   1,  -2, 469, 162, 0.0,,,No Hit
     264, 936.292189,  0.5099,  494005.68,  935.2468,  936,   1,  -3,-247, 163,40.0,,N3 O9 ,*,C,59,H,42,N,3,O,9,,,,,,,,,,,,,,,,,
     265, 916.364928,  0.5078,  257730.16,  915.3418,  916,   1,  -9,-342, 164,38.0,,N1 O1 S2 ,*,C,64,H,54,N,1,O,1,S,2,,,,,,,,,,,,,,,
     266, 494.138466,  0.5000,  830738.12,  493.5867,  494,   1, -10, 413, 165, 0.0,,,No Hit
     267, 224.064561,  0.4976, 1819367.61,  223.8144,  224,   1, -14, 186, 166, 0.0,,,No Hit
     268, 772.244648,  0.1855,  619557.40,  771.3824,  772,   1, -13,-382, 167, 0.0,,,No Hit
     269, 800.275977,  0.4974,  541145.88,  799.3824,  800,   1, -13,-383, 167, 0.0,,,No Hit
     270, 556.160007,  0.2813,  730386.17,  555.5390,  556,   1,  -4, 461, 168, 0.0,,,No Hit
     271, 584.191322,  0.4961,  709261.08,  583.5390,  584,   1,  -4, 461, 168, 0.0,,,No Hit
     272, 466.128315,  0.4939,  866191.23,  465.6079,  466,   1, -10, 392, 169, 0.0,,,No Hit
     273, 856.265905,  0.4548,  516654.59,  855.3098,  856,   1, -13,-310, 170,10.0,,N3 O21 S1 ,,C,33,H,50,N,3,O,21,S,1,,,,,,,,,,,,,,,
     274, 870.281556,  0.4933,  511315.89,  869.3098,  870,   1, -13,-310, 170,10.0,,N3 O21 S1 ,,C,34,H,52,N,3,O,21,S,1,,,,,,,,,,,,,,,
     275, 530.159643,  0.4929,  792748.69,  529.5677,  530,   1,  -2, 432, 171, 0.0,,,No Hit
     276, 538.170604,  0.4907,  738439.52,  537.5697,  538,   1,  -8, 430, 172, 0.0,,,No Hit
     277, 876.251316,  0.4871,  491508.65,  875.2729,  876,   1,  -7,-273, 173,27.0,,N1 O16 ,*,C,47,H,42,N,1,O,16,,,,,,,,,,,,,,,,,
     278, 732.208961,  0.4843,  591166.93,  731.3914,  732,   1, -11,-391, 174,25.0,,N1 O12 ,*,C,41,H,34,N,1,O,12,,,,,,,,,,,,,,,,,
     279, 330.070014,  0.4843, 1268496.11,  329.7015,  330,   1,  -6, 298, 175, 0.0,,,No Hit
     280, 500.164559,  0.4832,  800741.58,  499.6061,  500,   1,  -4, 394, 176, 0.0,,,No Hit
     281, 834.260341,  0.4809,  530017.71,  833.3288,  834,   1,  -7,-329, 177, 0.0,,,No Hit
     282, 338.117357,  0.4787, 1225294.93,  337.7398,  338,   1, -12, 260, 178, 0.0,,,No Hit
     283, 344.085656,  0.4760, 1218182.95,  343.7015,  344,   1,  -6, 298, 179, 0.0,,,No Hit
     284, 916.336365,  0.4711,  274950.86,  915.3132,  916,   1,  -9,-313, 180, 0.0,,N1 O30 ,*,C,30,H,62,N,1,O,30,,,,,,,,,,,,,,,,,
     285, 458.157058,  0.4691,  843282.40,  457.6455,  458,   1,  -4, 354, 181,12.0,,N3 O8 ,,C,22,H,24,N,3,O,8,,,,,,,,,,,,,,,,,
     286, 642.678870,  0.4649,  605239.15,  641.9613,  642,   1,  -2,  39, 182, 0.0,,,No Hit
     287, 966.283081,  0.4614,  463970.75,  965.2042,  966,   1,  -1,-204, 183,27.0,,N1 O19 ,*,C,50,H,48,N,1,O,19,,,,,,,,,,,,,,,,,
     288, 526.149447,  0.4613,  725006.20,  525.5620,  526,   1,  -6, 438, 184, 0.0,,,No Hit
     289, 260.085681,  0.4601, 1648151.00,  259.7953,  260,   1,  -6, 205, 185, 0.0,,,No Hit
     290, 492.143976,  0.4572,  848063.54,  491.5945,  492,   1, -12, 405, 186, 0.0,,,No Hit
     291, 594.196807,  0.4546,  691935.65,  593.5334,  594,   1,  -8, 467, 187, 0.0,,,No Hit
     292, 342.113113,  0.4485, 1152588.64,  341.7311,  342,   1,  -8, 269, 188, 0.0,,,No Hit
     293, 386.066988,  0.4481, 1114030.27,  385.6359,  386,   1,  -6, 364, 189,17.0,,N1 O6 ,,C,22,H,12,N,1,O,6,,,,,,,,,,,,,,,,,
     294, 338.030607,  0.4449, 1243881.21,  337.6532,  338,   1, -12, 347, 190,14.0,,N1 O7 ,,C,17,H,8,N,1,O,7,,,,,,,,,,,,,,,,,
     295, 892.287086,  0.4442,  523743.74,  891.2908,  892,   1,  -5,-291, 191, 8.0,,N3 O23 S1 ,,C,33,H,54,N,3,O,23,S,1,,,,,,,,,,,,,,,
     296, 810.258617,  0.4435,  775925.91,  809.3539,  810,   1,  -3,-354, 192,23.0,,N1 O12 S1 ,*,C,44,H,44,N,1,O,12,S,1,,,,,,,,,,,,,,,
     297, 880.337041,  0.2090,  133713.97,  879.3541,  880,   1,  -3,-354, 192,23.0,,N1 O12 S1 ,*,C,49,H,54,N,1,O,12,S,1,,,,,,,,,,,,,,,
     298, 348.080576,  0.4399, 1228558.78,  347.6919,  348,   1,  -2, 308, 193, 0.0,,,No Hit
     299,1036.329449,  0.4373,  435308.58, 1035.1723, 1036,   1,  -1,-172, 194,37.0,,N3 O14 ,*,C,60,H,50,N,3,O,14,,,,,,,,,,,,,,,,,
     300,1050.345149,  0.4398,  425758.54, 1049.1724, 1050,   1,  -1,-172, 194,37.0,,N3 O14 ,*,C,61,H,52,N,3,O,14,,,,,,,,,,,,,,,,,
     301, 436.297390,  0.4368,  895260.89,  435.8102,  436,   1, -12, 190, 195, 0.0,,,No Hit
     302, 147.552059,  0.4359, 2423672.30,  147.3873,  148,   1,  -7,-387, 196, 0.0,,,No Hit
     303, 906.302703,  0.4308,  477527.62,  905.2908,  906,   1,  -5,-291, 197, 8.0,,N3 O23 S1 ,,C,34,H,56,N,3,O,23,S,1,,,,,,,,,,,,,,,
     304, 484.138900,  0.4290,  849849.06,  483.5983,  484,   1,  -6, 402, 198, 0.0,,,No Hit
     305, 540.201467,  0.2179,  684706.21,  539.5983,  540,   1,  -6, 402, 198, 0.0,,,No Hit
     306, 474.154525,  0.4241,  863755.32,  473.6251,  474,   1,  -2, 375, 199, 0.0,,,No Hit
     307, 340.054363,  0.4232, 1255282.95,  339.6747,  340,   1, -10, 325, 200, 0.0,,,No Hit
     308, 874.274360,  0.3404,  570409.40,  873.2982,  874,   1,  -9,-298, 201,40.0,,N3 O4 S1 ,*,C,58,H,40,N,3,O,4,S,1,,,,,,,,,,,,,,,
     309, 888.290031,  0.4231,  197968.28,  887.2982,  888,   1,  -9,-298, 201,40.0,,N3 O4 S1 ,*,C,59,H,42,N,3,O,4,S,1,,,,,,,,,,,,,,,
     310, 916.318115,  0.4210,  308102.48,  915.2950,  916,   1,  -9,-295, 202, 0.0,,N1 O28 S1 ,*,C,30,H,62,N,1,O,28,S,1,,,,,,,,,,,,,,,
     311, 654.537079,  0.4201,  641400.85,  653.8063,  654,   1,  -4, 194, 203,12.0,,N3 O1 ,,C,44,H,68,N,3,O,1,,,,,,,,,,,,,,,,,
     312, 514.149437,  0.4137,  753727.83,  513.5754,  514,   1,  -4, 425, 204, 5.0,,O16 13C1 ,,C,18,H,29,,,O,16,,,,,13C,1, ,,,,,,,,,,
     313, 556.196395,  0.2862,  721129.47,  555.5754,  556,   1,  -4, 425, 204, 5.0,,O16 13C1 ,,C,21,H,35,,,O,16,,,,,13C,1, ,,,,,,,,,,
     314, 724.384294,  0.2440,  572190.57,  723.5755,  724,   1,  -4, 424, 204, 5.0,,O16 13C1 ,,C,33,H,59,,,O,16,,,,,13C,1, ,,,,,,,,,,
     315, 752.415640,  0.2891,  575407.85,  751.5755,  752,   1,  -4, 424, 204, 5.0,,O16 13C1 ,,C,35,H,63,,,O,16,,,,,13C,1, ,,,,,,,,,,
     316, 420.122827,  0.4120, 1031329.32,  419.6537,  420,   1, -14, 346, 205, 0.0,,,No Hit
     317, 528.165120,  0.4099,  766525.87,  527.5754,  528,   1,  -4, 425, 206, 0.0,,,No Hit
     318, 504.161939,  0.4078,  759298.82,  503.5990,  504,   1, -14, 401, 207, 0.0,,,No Hit
     319, 312.059462,  0.3618, 1269601.97,  311.7110,  312,   1, -10, 289, 208, 0.0,,,No Hit
     320, 326.075109,  0.4066, 1294257.36,  325.7110,  326,   1, -10, 289, 208, 0.0,,,No Hit
     321, 362.096212,  0.4023, 1120874.43,  361.6919,  362,   1,  -2, 308, 209, 0.0,,,No Hit
     322, 682.212902,  0.4000,  599430.38,  681.4512,  682,   1,  -5,-451, 210, 0.0,,,No Hit
     323, 674.201960,  0.3926,  638716.95,  673.4492,  674,   1, -13,-449, 211, 0.0,,,No Hit
     324, 402.112270,  0.3919, 1042600.75,  401.6633,  402,   1,  -4, 337, 212, 0.0,,,No Hit
     325, 696.187802,  0.3915,  626928.42,  695.4105,  696,   1,  -5,-411, 213,27.0,,N1 O10 ,*,C,41,H,30,N,1,O,10,,,,,,,,,,,,,,,,,
     326, 934.297608,  0.1954,  146555.09,  933.2544,  934,   1,  -5,-255, 214, 9.0,,N3 O24 S1 ,,C,35,H,56,N,3,O,24,S,1,,,,,,,,,,,,,,,
     327, 962.328952,  0.3913,  456244.47,  961.2545,  962,   1,  -5,-255, 214, 9.0,,N3 O24 S1 ,,C,37,H,60,N,3,O,24,S,1,,,,,,,,,,,,,,,
     328, 342.110960,  0.3888, 1208039.09,  341.7290,  342,   1,  -8, 271, 215, 0.0,,,No Hit
     329, 324.100541,  0.3856, 1179803.73,  323.7387,  324,   1, -12, 261, 216, 0.0,,,No Hit
     330, 742.234133,  0.3767,  594528.37,  741.4054,  742,   1,  -1,-405, 217, 0.0,,,No Hit
     331, 362.075419,  0.3755, 1046654.36,  361.6711,  362,   1,  -2, 329, 218, 0.0,,,No Hit
     332, 810.576413,  0.1745,  154672.45,  809.6714,  810,   1,  -2, 329, 218, 0.0,,,No Hit
     333, 296.107666,  0.3746, 1509588.12,  295.7770,  296,   1, -12, 223, 219, 0.0,,,No Hit
     334, 308.106799,  0.3728, 1336527.73,  307.7628,  308,   1, -14, 237, 220, 0.0,,,No Hit
     335, 864.247632,  0.3720,  527502.94,  863.2827,  864,   1,  -5,-283, 221, 4.0,,N1 O29 ,*,C,28,H,50,N,1,O,29,,,,,,,,,,,,,,,,,
     336, 340.111887,  0.3484, 1232369.19,  339.7321,  340,   1, -10, 268, 222, 0.0,,,No Hit
     337, 480.268377,  0.3699,  836642.19,  479.7321,  480,   1, -10, 268, 222, 0.0,,,No Hit
     338, 358.064917,  0.3692, 1138872.92,  357.6651,  358,   1,  -6, 335, 223, 0.0,,,No Hit
     339, 312.101721,  0.3687, 1331365.13,  311.7532,  312,   1, -10, 247, 224, 0.0,,,No Hit
     340, 216.036156,  0.3680, 1888890.78,  215.7949,  216,   1,  -8, 205, 225, 0.0,,N1 O9 ,,C,4,H,10,N,1,O,9,,,,,,,,,,,,,,,,,
     341, 213.441854,  0.3677, 1938920.29,  213.2035,  214,   1, -11,-204, 226, 0.0,,,No Hit
     342, 540.143981,  0.3660,  694283.53,  539.5409,  540,   1,  -6, 459, 227, 0.0,,,No Hit
     343, 654.534834,  0.3654,  345463.95,  653.8040,  654,   1,  -4, 196, 228, 0.0,,,No Hit
     344, 890.286611,  0.3639,  498252.57,  889.2926,  890,   1,  -7,-293, 229,13.0,,N3 O20 S1 ,,C,37,H,52,N,3,O,20,S,1,,,,,,,,,,,,,,,
     345, 743.890898,  0.3600,  406340.14,  743.0603,  744,   1, -13, -60, 230,38.0,,N3 O10 S3 ,,C,37,H,2,N,3,O,10,S,3,,,,,,,,,,,,,,,
     346, 324.102572,  0.3592, 1231044.34,  323.7407,  324,   1, -12, 259, 231, 0.0,,,No Hit
     347, 424.154133,  0.3566,  970155.29,  423.6805,  424,   1, -10, 319, 232, 0.0,,,No Hit
     348, 420.143956,  0.2978,  975005.59,  419.6748,  420,   1, -14, 325, 233, 1.0,,O14 13C1 ,,C,13,H,27,,,O,14,,,,,13C,1, ,,,,,,,,,,
     349, 616.363160,  0.3550,  657637.62,  615.6750,  616,   1, -14, 325, 233, 1.0,,O14 13C1 ,,C,27,H,55,,,O,14,,,,,13C,1, ,,,,,,,,,,
     350, 644.394498,  0.3553,  641806.52,  643.6750,  644,   1, -14, 325, 233, 1.0,,O14 13C1 ,,C,29,H,59,,,O,14,,,,,13C,1, ,,,,,,,,,,
     351,1012.429428,  0.3532,  323487.91, 1011.2990, 1012,   1, -11,-299, 234,19.0,,N3 O19 ,,C,50,H,66,N,3,O,19,,,,,,,,,,,,,,,,,
     352, 206.054002,  0.3515, 2049448.67,  205.8239,  206,   1,  -4, 176, 235, 0.0,,,No Hit
     353, 624.668270,  0.3515,  695077.79,  623.9708,  624,   1,  -6,  29, 236, 0.0,,,No Hit
     354, 561.652406,  0.3506,  723003.66,  561.0253,  562,   1, -13, -25, 237, 0.0,,,No Hit
     355, 256.075511,  0.3484, 1662485.06,  255.7896,  256,   1, -10, 210, 238, 0.0,,,No Hit
     356, 610.191738,  0.3476,  708108.53,  609.5104,  610,   1,  -6, 490, 239, 0.0,,,No Hit
     357, 990.321070,  0.3452,  515766.36,  989.2153,  990,   1,  -5,-215, 240,15.0,,N3 O25 ,,C,41,H,56,N,3,O,25,,,,,,,,,,,,,,,,,
     358, 354.112263,  0.3439, 1161518.71,  353.7169,  354,   1, -10, 283, 241, 0.0,,,No Hit
     359, 792.248072,  0.3438,  222922.10,  791.3635,  792,   1,  -7,-364, 242,24.0,,N1 O11 S1 ,*,C,44,H,42,N,1,O,11,S,1,,,,,,,,,,,,,,,
     360,1074.258565,  0.3413,  143932.18, 1073.0591, 1074,   1,  -5, -59, 243,45.0,,N1 O12 S1 ,*,C,66,H,44,N,1,O,12,S,1,,,,,,,,,,,,,,,
     361, 442.107173,  0.3010,  928803.97,  441.6135,  442,   1,  -6, 386, 244, 9.0,,O12 13C1 ,*,C,18,H,21,,,O,12,,,,,13C,1, ,,,,,,,,,,
     362, 456.122821,  0.3407,  891282.35,  455.6135,  456,   1,  -6, 386, 244, 9.0,,O12 13C1 ,*,C,19,H,23,,,O,12,,,,,13C,1, ,,,,,,,,,,
     363, 484.154136,  0.2824,  852554.66,  483.6136,  484,   1,  -6, 386, 244, 9.0,,O12 13C1 ,*,C,21,H,27,,,O,12,,,,,13C,1, ,,,,,,,,,,
     364, 802.421716,  0.3407,  567321.72,  801.5258,  802,   1, -10, 474, 245,11.0,,N1 O6 S3 ,,C,44,H,68,N,1,O,6,S,3,,,,,,,,,,,,,,,
     365, 388.115981,  0.3401, 1042135.91,  387.6826,  388,   1,  -4, 317, 246,10.0,,N3 O2 S2 ,,C,19,H,22,N,3,O,2,S,2,,,,,,,,,,,,,,,
     366, 964.391161,  0.3370,  383104.73,  963.3144,  964,   1,  -3,-314, 247,29.0,,N1 O13 ,*,C,57,H,58,N,1,O,13,,,,,,,,,,,,,,,,,
     367, 654.540825,  0.3357,  247540.34,  653.8100,  654,   1,  -4, 190, 248, 0.0,,,No Hit
     368, 422.069087,  0.3349,  981275.65,  421.5978,  422,   1, -12, 402, 249, 0.0,,,No Hit
     369, 196.054400,  0.3348, 2015979.97,  195.8355,  196,   1, -14, 164, 250, 0.0,,,No Hit
     370, 500.170176,  0.3327,  797556.91,  499.6117,  500,   1,  -4, 388, 251, 0.0,,,No Hit
     371, 764.185415,  0.3316,  596155.13,  763.3322,  764,   1,  -7,-332, 252, 8.0,,N3 O24 ,,C,25,H,38,N,3,O,24,,,,,,,,,,,,,,,,,
     372, 290.075115,  0.2382, 1456973.38,  289.7512,  290,   1,  -4, 249, 253, 0.0,,,No Hit
     373, 304.090757,  0.3308, 1371512.71,  303.7512,  304,   1,  -4, 249, 253, 0.0,,,No Hit
     374, 506.169337,  0.3289,  811753.37,  505.6042,  506,   1, -12, 396, 254, 0.0,,,No Hit
     375, 576.186270,  0.3287,  729067.86,  575.5429,  576,   1, -12, 457, 255, 0.0,,,No Hit
     376, 938.443469,  0.3275,  374018.59,  937.3956,  938,   1,  -1,-396, 256,34.0,,N1 O1 S2 ,*,C,65,H,64,N,1,O,1,S,2,,,,,,,,,,,,,,,
     377, 522.133425,  0.3272,  715448.56,  521.5504,  522,   1, -10, 450, 257, 0.0,,,No Hit
     378, 738.218041,  0.3268,  645187.27,  737.3938,  738,   1,  -5,-394, 258, 0.0,,,No Hit
     379, 419.639809,  0.3260,  936415.97,  419.1713,  420,   1,  -1,-171, 259, 0.0,,,No Hit
     380, 956.275462,  0.3249,  239420.34,  955.2077,  956,   1, -11,-208, 260,33.0,,N1 O7 S3 ,,C,57,H,50,N,1,O,7,S,3,,,,,,,,,,,,,,,
     381, 270.091155,  0.3247, 1590284.82,  269.7896,  270,   1, -10, 210, 261, 0.0,,,No Hit
     382, 654.545579,  0.3201,  479529.10,  653.8147,  654,   1,  -4, 185, 262, 0.0,,,No Hit
     383, 400.314957,  0.3198,  992678.50,  399.8680,  400,   1,  -6, 132, 263, 0.0,,,No Hit
     384, 550.169162,  0.3176,  208323.29,  549.5549,  550,   1, -10, 445, 264,20.0,,N1 O5 S1 ,,C,33,H,28,N,1,O,5,S,1,,,,,,,,,,,,,,,
     385, 296.109726,  0.3168, 1405939.68,  295.7791,  296,   1, -12, 221, 265, 0.0,,,No Hit
     386,1028.926786,  0.3167,  365066.68, 1027.7779, 1028,   1,  -8, 222, 266,45.0,,N2 O24 S1 ,*,C,48,H,9,N,2,O,24,S,1,,,,,,,,,,,,,,,
     387,1038.226758,  0.3162,  330261.58, 1037.0675, 1038,   1, -13, -68, 267,26.0,,N3 O25 ,,C,46,H,44,N,3,O,25,,,,,,,,,,,,,,,,,
     388, 732.710618,  0.3160,  601320.03,  731.8925,  732,   1, -10, 107, 268, 0.0,,,No Hit
     389, 326.054314,  0.3152, 1211314.11,  325.6903,  326,   1, -10, 310, 269, 0.0,,,No Hit
     390,1008.331700,  0.3135,  452495.46, 1007.2058, 1008,   1,  -1,-206, 270,14.0,,N3 O26 ,,C,41,H,58,N,3,O,26,,,,,,,,,,,,,,,,,
     391, 606.156028,  0.3132,  663912.16,  605.4792,  606,   1, -11,-479, 271,27.0,,N1 O7 ,*,C,38,H,24,N,1,O,7,,,,,,,,,,,,,,,,,
     392, 516.288662,  0.3131,  732902.65,  515.7122,  516,   1,  -2, 288, 272, 0.0,,,No Hit
     393, 305.462093,  0.3111, 1301869.18,  305.1210,  306,   1,  -3,-121, 273, 0.0,,,No Hit
     394, 342.115197,  0.3101, 1188043.37,  341.7332,  342,   1,  -8, 267, 274, 0.0,,,No Hit
     395, 338.096222,  0.2461, 1245672.26,  337.7187,  338,   1, -12, 281, 275, 0.0,,,No Hit
     396, 352.111876,  0.3097, 1199424.57,  351.7187,  352,   1, -12, 281, 275, 0.0,,,No Hit
     397, 656.191357,  0.3092,  665948.49,  655.4587,  656,   1,  -3,-459, 276, 0.0,,,No Hit
     398, 440.106793,  0.3078,  964450.70,  439.6154,  440,   1,  -8, 385, 277, 0.0,,,No Hit
     399, 416.127928,  0.3065,  971616.93,  415.6633,  416,   1,  -4, 337, 278, 0.0,,,No Hit
     400, 388.118565,  0.3064,  939637.63,  387.6852,  388,   1,  -4, 315, 279, 6.0,,N3 O7 S1 ,,C,15,H,22,N,3,O,7,S,1,,,,,,,,,,,,,,,
     401, 876.753027,  0.3062,  498370.73,  875.7741,  876,   1,  -6, 226, 280,17.0,,N2 O35 S3 ,,C,16,H,1,N,2,O,35,S,3,,,,,,,,,,,,,,,
     402,1038.251951,  0.3054,  355164.31, 1037.0927, 1038,   1, -13, -93, 281,25.0,,N1 O25 ,*,C,48,H,48,N,1,O,25,,,,,,,,,,,,,,,,,
     403, 458.117335,  0.3043,  860814.75,  457.6058,  458,   1,  -4, 394, 282, 0.0,,,No Hit
     404, 880.373677,  0.3042,  179214.02,  879.3907,  880,   1,  -3,-391, 283,22.0,,N1 O11 S1 ,,C,50,H,58,N,1,O,11,S,1,,,,,,,,,,,,,,,
     405, 294.070026,  0.1922, 1481632.19,  293.7417,  294,   1, -14, 258, 284, 0.0,,,No Hit
     406, 322.101317,  0.3040, 1381555.79,  321.7417,  322,   1, -14, 258, 284, 0.0,,,No Hit
     407, 460.163865,  0.3031,  913826.72,  459.6501,  460,   1,  -2, 350, 285, 0.0,,,No Hit
     408, 458.162563,  0.3024,  890999.02,  457.6510,  458,   1,  -4, 349, 286, 3.0,,N3 O13 ,,C,15,H,28,N,3,O,13,,,,,,,,,,,,,,,,,
     409,1020.293839,  0.2986,  364036.93, 1019.1546, 1020,   1,  -3,-155, 287,55.0,,N1 O2 S1 ,*,C,75,H,42,N,1,O,2,S,1,,,,,,,,,,,,,,,
     410,1020.877184,  0.2978,  439558.95, 1019.7373, 1020,   1,  -2, 263, 288,40.0,,O32 ,*,C,42,H,5,,,O,32,,,,,,,,,,,,,,,,,
     411, 774.237627,  0.2967,  234980.71,  773.3732,  774,   1, -11,-373, 289,25.0,,N1 O10 S1 ,,C,44,H,40,N,1,O,10,S,1,,,,,,,,,,,,,,,
     412, 924.225562,  0.2965,  139674.95,  923.1936,  924,   1,  -1,-194, 290,32.0,,N3 O16 ,*,C,49,H,38,N,3,O,16,,,,,,,,,,,,,,,,,
     413, 464.333941,  0.2960,  881883.15,  463.8155,  464,   1, -12, 184, 291, 1.0,,N3 O7 ,,C,22,H,46,N,3,O,7,,,,,,,,,,,,,,,,,
     414,1012.383286,  0.2940,  362353.79, 1011.2529, 1012,   1, -11,-253, 292,46.0,,N1 O3 S1 ,*,C,72,H,54,N,1,O,3,S,1,,,,,,,,,,,,,,,
     415, 938.403453,  0.2929,  436277.99,  937.3557,  938,   1,  -1,-356, 293,40.0,,N1 O2 S1 ,*,C,67,H,56,N,1,O,2,S,1,,,,,,,,,,,,,,,
     416, 654.535841,  0.2922,  247286.26,  653.8050,  654,   1,  -4, 195, 294, 0.0,,,No Hit
     417, 916.348447,  0.2921,  560820.86,  915.3253,  916,   1,  -9,-325, 295,26.0,,N3 O11 S1 ,,C,51,H,54,N,3,O,11,S,1,,,,,,,,,,,,,,,
     418,1012.419359,  0.2915,  325814.72, 1011.2889, 1012,   1, -11,-289, 296,45.0,,N1 O2 S1 ,*,C,73,H,58,N,1,O,2,S,1,,,,,,,,,,,,,,,
     419,1046.580572,  0.2907,  276780.51, 1045.4120, 1046,   1,  -5,-412, 297,14.0,,N3 O17 ,,C,54,H,84,N,3,O,17,,,,,,,,,,,,,,,,,
     420, 360.101707,  0.2400, 1172976.71,  359.6996,  360,   1,  -4, 300, 298, 6.0,,O10 13C1 ,,C,14,H,19,,,O,10,,,,,13C,1, ,,,,,,,,,,
     421, 374.117327,  0.2536, 1102914.76,  373.6996,  374,   1,  -4, 300, 298, 6.0,,O10 13C1 ,,C,15,H,21,,,O,10,,,,,13C,1, ,,,,,,,,,,
     422, 388.132992,  0.2897, 1059239.84,  387.6996,  388,   1,  -4, 300, 298, 6.0,,O10 13C1 ,,C,16,H,23,,,O,10,,,,,13C,1, ,,,,,,,,,,
     423, 570.336465,  0.1702,  693525.62,  569.6997,  570,   1,  -4, 300, 298, 6.0,,O10 13C1 ,,C,29,H,49,,,O,10,,,,,13C,1, ,,,,,,,,,,
     424, 910.401540,  0.2888,  374936.10,  909.3850,  910,   1,  -1,-385, 299,22.0,,N1 O14 ,*,C,51,H,60,N,1,O,14,,,,,,,,,,,,,,,,,
     425, 666.212256,  0.2885,  630869.58,  665.4684,  666,   1,  -7,-468, 300, 0.0,,,No Hit
     426, 298.080195,  0.2882, 1363568.77,  297.7474,  298,   1, -10, 253, 301, 0.0,,,No Hit
     427, 540.165070,  0.2880,  756307.20,  539.5619,  540,   1,  -6, 438, 302, 0.0,,,No Hit
     428, 768.209011,  0.2874,  590228.49,  767.3513,  768,   1,  -3,-351, 303,28.0,,N1 O12 ,*,C,44,H,34,N,1,O,12,,,,,,,,,,,,,,,,,
     429, 470.159606,  0.2873,  869235.07,  469.6346,  470,   1,  -6, 365, 304, 0.0,,,No Hit
     430, 692.212530,  0.2872,  662495.00,  691.4396,  692,   1,  -9,-440, 305, 0.0,,,No Hit
     431, 502.164707,  0.2870,  808610.72,  501.6040,  502,   1,  -2, 396, 306, 0.0,,,No Hit
     432, 564.184780,  0.2853,  845806.51,  563.5548,  564,   1, -10, 445, 307,20.0,,N1 O5 S1 ,,C,34,H,30,N,1,O,5,S,1,,,,,,,,,,,,,,,
     433, 894.261899,  0.2844,  508414.88,  893.2634,  894,   1,  -3,-263, 308,26.0,,N1 O17 ,*,C,47,H,44,N,1,O,17,,,,,,,,,,,,,,,,,
     434, 366.091139,  0.2835, 1134520.45,  365.6824,  366,   1, -12, 318, 309, 0.0,,,No Hit
     435, 916.326370,  0.2835,  248041.28,  915.3032,  916,   1,  -9,-303, 310, 5.0,,N3 O27 ,,C,32,H,58,N,3,O,27,,,,,,,,,,,,,,,,,
     436, 376.075479,  0.2829, 1046800.16,  375.6556,  376,   1,  -2, 344, 311, 0.0,,,No Hit
     437, 370.122434,  0.2827, 1057535.01,  369.7092,  370,   1,  -8, 291, 312, 0.0,,,No Hit
     438, 404.125977,  0.2826,  978444.43,  403.6747,  404,   1,  -2, 325, 313,14.0,,N3 S2 ,,C,23,H,22,N,3,,,S,2,,,,,,,,,,,,,,,
     439, 700.223461,  0.2825,  639951.27,  699.4416,  700,   1,  -1,-442, 314, 0.0,,,No Hit
     440, 430.107171,  0.2821,  900483.58,  429.6269,  430,   1,  -4, 373, 315, 0.0,,,No Hit
     441,1038.257241,  0.2799,  362548.86, 1037.0980, 1038,   1, -13, -98, 316,34.0,,N3 O19 ,*,C,54,H,44,N,3,O,19,,,,,,,,,,,,,,,,,
     442, 786.721187,  0.2795,  581580.99,  785.8428,  786,   1, -12, 157, 317, 0.0,,,No Hit
     443, 628.181216,  0.2789,  620387.71,  627.4798,  628,   1,  -3,-480, 318, 0.0,,,No Hit
     444,1064.845164,  0.2789,  138038.42, 1063.6562, 1064,   1, -14, 344, 319,46.0,,O32 ,*,C,46,H,1,,,O,32,,,,,,,,,,,,,,,,,
     445,1064.870158,  0.2771,  243669.80, 1063.6812, 1064,   1, -14, 319, 320,36.0,,O34 S1 ,*,C,40,H,9,,,O,34,S,1,,,,,,,,,,,,,,,
     446, 654.539727,  0.2770,  215244.97,  653.8089,  654,   1,  -4, 191, 321, 0.0,,,No Hit
     447, 618.157992,  0.2744,  706794.99,  617.4678,  618,   1, -13,-468, 322, 0.0,,,No Hit
     448, 438.094546,  0.2744,  915810.58,  437.6054,  438,   1, -10, 395, 323, 0.0,,,No Hit
     449, 832.266972,  0.2737,  346628.32,  831.3377,  832,   1,  -9,-338, 324,17.0,,N1 O19 ,*,C,39,H,46,N,1,O,19,,,,,,,,,,,,,,,,,
     450, 502.149432,  0.2729,  799108.25,  501.5888,  502,   1,  -2, 411, 325, 0.0,,,No Hit
     451,1074.233936,  0.2724,  253292.68, 1073.0345, 1074,   1,  -5, -35, 326,55.0,,N1 O10 ,*,C,72,H,36,N,1,O,10,,,,,,,,,,,,,,,,,
     452, 924.207885,  0.2716,  217948.40,  923.1760,  924,   1,  -1,-176, 327,59.0,,N3 O1 ,*,C,70,H,26,N,3,O,1,,,,,,,,,,,,,,,,,
     453, 910.387976,  0.2705,  349297.98,  909.3715,  910,   1,  -1,-372, 328,17.0,,N1 O12 S2 ,,C,48,H,64,N,1,O,12,S,2,,,,,,,,,,,,,,,
     454, 938.419549,  0.1793,  190224.60,  937.3718,  938,   1,  -1,-372, 328,17.0,,N1 O12 S2 ,,C,50,H,68,N,1,O,12,S,2,,,,,,,,,,,,,,,
     455, 298.111054,  0.2694, 1345870.53,  297.7782,  298,   1, -10, 222, 329, 0.0,,,No Hit
     456, 640.181212,  0.2348,  659059.57,  639.4664,  640,   1,  -5,-466, 330, 0.0,,,No Hit
     457, 654.196842,  0.2688,  639605.70,  653.4664,  654,   1,  -5,-466, 330, 0.0,,,No Hit
     458, 564.165135,  0.2687,  738618.53,  563.5352,  564,   1, -10, 465, 331, 0.0,,,No Hit
     459,1064.841305,  0.2687,  136687.43, 1063.6524, 1064,   1, -14, 348, 332,42.0,,N2 O34 ,*,C,41,H,1,N,2,O,34,,,,,,,,,,,,,,,,,
     460, 262.101324,  0.1817, 1546177.11,  261.8087,  262,   1,  -4, 191, 333, 0.0,,,No Hit
     461, 444.304731,  0.2679,  955129.07,  443.8086,  444,   1,  -4, 191, 333, 0.0,,,No Hit
     462, 720.205314,  0.2677,  508987.07,  719.4012,  720,   1,  -9,-401, 334, 2.0,,N1 O25 ,*,C,22,H,42,N,1,O,25,,,,,,,,,,,,,,,,,
     463, 646.191801,  0.2674,  579647.88,  645.4703,  646,   1, -13,-470, 335, 0.0,,,No Hit
     464, 964.378721,  0.2667,  237003.04,  963.3019,  964,   1,  -3,-302, 336,38.0,,N3 O5 S1 ,*,C,63,H,54,N,3,O,5,S,1,,,,,,,,,,,,,,,
     465,1012.424110,  0.2666,  278145.32, 1011.2937, 1012,   1, -11,-294, 337,10.0,,N1 O25 ,*,C,44,H,70,N,1,O,25,,,,,,,,,,,,,,,,,
     466, 880.332781,  0.2663,  200507.48,  879.3498,  880,   1,  -3,-350, 338,19.0,,N3 O14 S1 ,,C,44,H,54,N,3,O,14,S,1,,,,,,,,,,,,,,,
     467, 654.555916,  0.2655,  549403.78,  653.8251,  654,   1,  -4, 175, 339, 0.0,,,No Hit
     468, 594.160416,  0.1652,  732964.20,  593.4970,  594,   1,  -9,-497, 340, 0.0,,,No Hit
     469, 636.207384,  0.2653,  652845.89,  635.4970,  636,   1,  -9,-497, 340, 0.0,,,No Hit
     470, 868.290320,  0.2643,  257460.21,  867.3208,  868,   1,  -1,-321, 341, 2.0,,N3 O28 ,,C,27,H,54,N,3,O,28,,,,,,,,,,,,,,,,,
     471, 161.549580,  0.2641, 2237029.83,  161.3692,  162,   1,  -7,-369, 342, 0.0,,,No Hit
     472, 799.972269,  0.2639,  354570.42,  799.0791,  800,   1, -13, -79, 343, 8.0,,N3 O35 ,*,C,15,H,18,N,3,O,35,,,,,,,,,,,,,,,,,
     473, 746.244214,  0.2637,  575864.93,  745.4110,  746,   1, -11,-411, 344, 0.0,,,No Hit
     474, 832.743086,  0.2627,  492853.37,  831.8133,  832,   1,  -8, 187, 345, 0.0,,,No Hit
     475, 476.127930,  0.2624,  851604.62,  475.5963,  476,   1, -14, 404, 346, 0.0,,,No Hit
     476, 654.560611,  0.2621,  477472.24,  653.8298,  654,   1,  -4, 170, 347, 0.0,,,No Hit
     477, 294.040798,  0.2614, 1448198.58,  293.7125,  294,   1, -14, 287, 348,13.0,,N1 O5 ,,C,16,H,8,N,1,O,5,,,,,,,,,,,,,,,,,
     478, 654.557091,  0.2612,  670869.24,  653.8262,  654,   1,  -4, 174, 349, 0.0,,,No Hit
     479, 446.317994,  0.2610,  853330.67,  445.8197,  446,   1,  -2, 180, 350, 0.0,,,No Hit
     480, 558.270824,  0.2609,  734095.12,  557.6475,  558,   1,  -2, 352, 351,11.0,,N1 O9 ,*,C,30,H,40,N,1,O,9,,,,,,,,,,,,,,,,,
     481, 924.212651,  0.2595,  131245.37,  923.1807,  924,   1,  -1,-181, 352,35.0,,N1 O7 S3 ,,C,55,H,42,N,1,O,7,S,3,,,,,,,,,,,,,,,
     482, 743.885199,  0.2594,  599254.17,  743.0546,  744,   1, -13, -55, 353,29.0,,N1 O16 S3 ,,C,31,H,6,N,1,O,16,S,3,,,,,,,,,,,,,,,
     483, 856.010492,  0.1952,  287590.67,  855.0547,  856,   1, -13, -55, 353,29.0,,N1 O16 S3 ,,C,39,H,22,N,1,O,16,S,3,,,,,,,,,,,,,,,
     484, 884.041806,  0.1669,  114738.75,  883.0547,  884,   1, -13, -55, 353,29.0,,N1 O16 S3 ,,C,41,H,26,N,1,O,16,S,3,,,,,,,,,,,,,,,
     485, 906.512684,  0.2593,  109634.77,  905.5005,  906,   1,  -4, 499, 354,15.0,,N3 O7 S2 ,,C,51,H,76,N,3,O,7,S,2,,,,,,,,,,,,,,,
     486,1020.848005,  0.2590,  436073.76, 1019.7082, 1020,   1,  -2, 292, 355, 0.0,,N1 O10 S1 ,*,C,58,H,118,N,1,O,10,S,1,,,,,,,,,,,,,,,
     487, 424.111876,  0.2584,  932871.51,  423.6383,  424,   1, -10, 362, 356, 0.0,,,No Hit
     488,1074.222524,  0.2584,  266245.05, 1073.0231, 1074,   1,  -5, -23, 357,73.0,,N1 ,*,C,86,H,28,N,1,,,,,,,,,,,,,,,,,,,
     489, 810.602078,  0.2578,  449826.92,  809.6970,  810,   1,  -2, 303, 358,18.0,,N1 S1 ,,C,57,H,80,N,1,,,S,1,,,,,,,,,,,,,,,
     490, 326.105958,  0.2577, 1190402.32,  325.7418,  326,   1, -10, 258, 359, 0.0,,,No Hit
     491, 412.096621,  0.2572, 1003526.00,  411.6365,  412,   1,  -8, 363, 360, 0.0,,,No Hit
     492, 392.024232,  0.2572, 1011268.69,  391.5865,  392,   1, -14, 413, 361,15.0,,N1 O1 S3 ,,C,21,H,14,N,1,O,1,S,3,,,,,,,,,,,,,,,
     493, 704.191782,  0.2572,  613970.27,  703.4055,  704,   1, -11,-406, 362,20.0,,N3 O11 S1 ,,C,35,H,34,N,3,O,11,S,1,,,,,,,,,,,,,,,
     494, 242.075120,  0.2565, 1668363.18,  241.8048,  242,   1, -10, 195, 363, 0.0,,,No Hit
     495,1020.899732,  0.2563,  259988.38, 1019.7598, 1020,   1,  -2, 240, 364, 3.0,,N1 O6 S1 ,*,C,63,H,122,N,1,O,6,S,1,,,,,,,,,,,,,,,
     496, 883.997773,  0.2556,  274109.93,  883.0107,  884,   1, -13, -11, 365,14.0,,N1 O35 ,*,C,24,H,22,N,1,O,35,,,,,,,,,,,,,,,,,
     497, 924.217204,  0.2553,  130652.88,  923.1853,  924,   1,  -1,-185, 366, 1.0,,N1 O35 ,*,C,25,H,50,N,1,O,35,,,,,,,,,,,,,,,,,
     498, 344.116501,  0.2546, 1252396.53,  343.7323,  344,   1,  -6, 268, 367, 0.0,,,No Hit
     499, 668.222223,  0.2545,  656317.50,  667.4761,  668,   1,  -5,-476, 368,25.0,,N3 O5 S1 ,,C,40,H,34,N,3,O,5,S,1,,,,,,,,,,,,,,,
     500, 872.276110,  0.2544,  509885.74,  871.3022,  872,   1, -11,-302, 369,14.0,,N3 O19 S1 ,,C,37,H,50,N,3,O,19,S,1,,,,,,,,,,,,,,,
     501, 944.315934,  0.2536,  557101.47,  943.2616,  944,   1,  -9,-262, 370,41.0,,N3 O5 S1 ,*,C,62,H,46,N,3,O,5,S,1,,,,,,,,,,,,,,,
     502, 648.162993,  0.2536,  630077.04,  647.4393,  648,   1, -11,-439, 371, 6.0,,N1 O21 ,*,C,22,H,34,N,1,O,21,,,,,,,,,,,,,,,,,
     503, 342.077157,  0.2532, 1227109.26,  341.6952,  342,   1,  -8, 305, 372,16.0,,N1 O4 ,,C,21,H,12,N,1,O,4,,,,,,,,,,,,,,,,,
     504, 926.307778,  0.2531,  488540.78,  925.2735,  926,   1, -13,-274, 373,11.0,,N3 O22 S1 ,,C,37,H,56,N,3,O,22,S,1,,,,,,,,,,,,,,,
     505, 380.106769,  0.2525, 1100314.51,  379.6824,  380,   1, -12, 318, 374, 0.0,,,No Hit
     506, 504.168009,  0.2523,  828414.06,  503.6051,  504,   1, -14, 395, 375, 3.0,,N3 O15 ,,C,16,H,30,N,3,O,15,,,,,,,,,,,,,,,,,
     507, 982.297686,  0.2521,  453835.89,  981.2009,  982,   1, -13,-201, 376,40.0,,N3 O11 ,*,C,60,H,44,N,3,O,11,,,,,,,,,,,,,,,,,
     508, 384.101694,  0.2517, 1016717.54,  383.6728,  384,   1,  -8, 327, 377, 0.0,,,No Hit
     509, 296.098697,  0.2511, 1431364.60,  295.7681,  296,   1, -12, 232, 378, 2.0,,N1 O9 ,,C,10,H,18,N,1,O,9,,,,,,,,,,,,,,,,,
     510, 702.740174,  0.2506,  460785.40,  701.9555,  702,   1, -12,  44, 379, 0.0,,,No Hit
     511, 948.883983,  0.2488,  341812.70,  947.8245,  948,   1,  -4, 175, 380,51.0,,O19 S1 ,*,C,51,H,1,,,O,19,S,1,,,,,,,,,,,,,,,
     512, 324.104636,  0.2486, 1307219.54,  323.7428,  324,   1, -12, 257, 381, 0.0,,,No Hit
     513, 855.972068,  0.1643,  179353.22,  855.0163,  856,   1, -13, -16, 382, 5.0,,N1 O40 ,*,C,15,H,22,N,1,O,40,,,,,,,,,,,,,,,,,
     514, 884.003476,  0.2481,  356898.26,  883.0164,  884,   1, -13, -17, 382, 5.0,,N1 O40 ,*,C,17,H,26,N,1,O,40,,,,,,,,,,,,,,,,,
     515, 320.106801,  0.2481, 1306349.73,  319.7494,  320,   1,  -2, 251, 383, 0.0,,,No Hit
     516,1056.225918,  0.2475,  369243.10, 1055.0466, 1056,   1,  -9, -47, 384,25.0,,N1 O27 ,*,C,47,H,46,N,1,O,27,,,,,,,,,,,,,,,,,
     517, 328.090751,  0.2471, 1314865.51,  327.7244,  328,   1,  -8, 276, 385, 0.0,,,No Hit
     518, 920.196050,  0.2471,  442860.12,  919.1686,  920,   1,  -5,-169, 386,42.0,,N1 O9 S1 ,*,C,58,H,34,N,1,O,9,S,1,,,,,,,,,,,,,,,
     519, 564.182196,  0.2469,  722633.90,  563.5523,  564,   1, -10, 448, 387, 0.0,,,No Hit
     520, 338.038712,  0.2467, 1215580.62,  337.6613,  338,   1, -12, 339, 388, 0.0,,,No Hit
     521,1012.376395,  0.2461,  391082.43, 1011.2460, 1012,   1, -11,-246, 389,29.0,,N1 O16 ,*,C,57,H,58,N,1,O,16,,,,,,,,,,,,,,,,,
     522,1046.564919,  0.2449,  285882.70, 1045.3964, 1046,   1,  -5,-396, 390,10.0,,N3 O20 ,,C,50,H,84,N,3,O,20,,,,,,,,,,,,,,,,,
     523,1028.911904,  0.2445,  451653.99, 1027.7631, 1028,   1,  -8, 237, 391,23.0,,O38 S1 ,*,C,31,H,17,,,O,38,S,1,,,,,,,,,,,,,,,
     524, 856.125095,  0.2432,  445222.87,  855.1692,  856,   1, -13,-169, 392,45.0,,N1 O10 ,*,C,55,H,22,N,1,O,10,,,,,,,,,,,,,,,,,
     525, 916.354480,  0.2426,  531447.62,  915.3313,  916,   1,  -9,-331, 393,44.0,,N3 O3 ,*,C,65,H,46,N,3,O,3,,,,,,,,,,,,,,,,,
     526, 582.175661,  0.2412,  705267.41,  581.5256,  582,   1,  -6, 474, 394, 0.0,,,No Hit
     527, 231.664654,  0.2409, 1757564.20,  231.4060,  232,   1,  -7,-406, 395, 0.0,,,No Hit
     528, 924.222718,  0.2401,  132426.74,  923.1908,  924,   1,  -1,-191, 396, 9.0,,N3 O24 S2 ,,C,32,H,50,N,3,O,24,S,2,,,,,,,,,,,,,,,
     529, 884.022446,  0.2396,  256104.42,  883.0354,  884,   1, -13, -35, 397,31.0,,N1 O24 ,*,C,39,H,18,N,1,O,24,,,,,,,,,,,,,,,,,
     530, 972.310665,  0.2388,  527786.53,  971.2250,  972,   1,  -9,-225, 398,16.0,,N3 O24 ,*,C,41,H,54,N,3,O,24,,,,,,,,,,,,,,,,,
     531, 884.036305,  0.2387,  171755.67,  883.0492,  884,   1, -13, -49, 399,38.0,,N1 O11 S3 ,,C,48,H,22,N,1,O,11,S,3,,,,,,,,,,,,,,,
     532,1028.907639,  0.2385,  382987.84, 1027.7588, 1028,   1,  -8, 241, 400, 1.0,,N1 O10 ,*,C,61,H,122,N,1,O,10,,,,,,,,,,,,,,,,,
     533, 972.092839,  0.2374,  151434.01,  971.0074,  972,   1,  -9,  -8, 401,48.0,,N3 O12 S1 ,*,C,57,H,22,N,3,O,12,S,1,,,,,,,,,,,,,,,
     534, 654.519296,  0.2373,  207827.04,  653.7885,  654,   1,  -4, 211, 402, 0.0,,,No Hit
     535,1076.663493,  0.2367,  342023.10, 1075.4613, 1076,   1,  -3,-461, 403,12.0,,N3 O16 ,*,C,57,H,94,N,3,O,16,,,,,,,,,,,,,,,,,
     536, 880.326120,  0.2364,  175343.06,  879.3432,  880,   1,  -3,-343, 404, 2.0,,N3 O27 ,,C,29,H,58,N,3,O,27,,,,,,,,,,,,,,,,,
     537, 948.272502,  0.2362,  499984.60,  947.2137,  948,   1,  -5,-214, 405,28.0,,N1 O18 ,*,C,50,H,46,N,1,O,18,,,,,,,,,,,,,,,,,
     538, 799.986501,  0.2361,  214114.20,  799.0933,  800,   1, -13, -93, 406,42.0,,N3 O9 S2 ,*,C,45,H,10,N,3,O,9,S,2,,,,,,,,,,,,,,,
     539,1020.287079,  0.2358,  103982.83, 1019.1479, 1020,   1,  -3,-148, 407,38.0,,N1 O15 ,*,C,60,H,46,N,1,O,15,,,,,,,,,,,,,,,,,
     540, 810.215844,  0.2357,  254717.43,  809.3112,  810,   1,  -3,-311, 408, 7.0,,N1 O26 ,*,C,28,H,44,N,1,O,26,,,,,,,,,,,,,,,,,
     541, 294.052330,  0.2353, 1465861.36,  293.7240,  294,   1, -14, 276, 409, 0.0,,,No Hit
     542,1099.064884,  0.2351,  197146.79, 1097.8377, 1098,   1,  -8, 162, 410,74.0,,O5 S1 ,*,C,81,H,15,,,O,5,S,1,,,,,,,,,,,,,,,
     543, 916.331704,  0.2347,  134209.96,  915.3086,  916,   1,  -9,-309, 411,35.0,,N1 O7 S1 ,,C,59,H,50,N,1,O,7,S,1,,,,,,,,,,,,,,,
     544, 654.517723,  0.2335,  205969.59,  653.7869,  654,   1,  -4, 213, 412, 0.0,,,No Hit
     545, 654.558194,  0.2334,  870963.29,  653.8273,  654,   1,  -4, 173, 413, 7.0,,N3 O3 ,,C,41,H,72,N,3,O,3,,,,,,,,,,,,,,,,,
     546, 232.033248,  0.1173, 1790399.97,  231.7742,  232,   1,  -6, 226, 414, 0.0,,,No Hit
     547, 288.095845,  0.2332, 1444666.72,  287.7742,  288,   1,  -6, 226, 414, 0.0,,,No Hit
     548, 550.166754,  0.2332,  755876.69,  549.5525,  550,   1, -10, 447, 415,24.0,,N1 S2 ,,C,37,H,28,N,1,,,S,2,,,,,,,,,,,,,,,
     549, 286.080194,  0.2329, 1488741.45,  285.7608,  286,   1,  -8, 239, 416, 0.0,,,No Hit
     550, 720.207468,  0.2325,  518128.94,  719.4033,  720,   1,  -9,-403, 417, 0.0,,,No Hit
     551, 896.999450,  0.2324,  493824.88,  895.9979,  896,   1, -14,   2, 418, 5.0,,N2 O35 S2 ,,C,18,H,29,N,2,O,35,S,2,,,,,,,,,,,,,,,
     552, 618.196856,  0.2324,  616764.41,  617.5066,  618,   1, -12, 493, 419, 0.0,,,No Hit
     553, 938.422414,  0.2324,  220973.66,  937.3746,  938,   1,  -1,-375, 420,12.0,,N1 O12 S3 ,,C,47,H,72,N,1,O,12,S,3,,,,,,,,,,,,,,,
     554, 844.256728,  0.2322,  278733.62,  843.3141,  844,   1, -11,-314, 421,23.0,,N3 O16 ,,C,42,H,42,N,3,O,16,,,,,,,,,,,,,,,,,
     555, 988.773898,  0.2320,  367466.35,  987.6699,  988,   1,  -6, 330, 422,20.0,,N1 S1 ,,C,70,H,102,N,1,,,S,1,,,,,,,,,,,,,,,
     556,1056.245817,  0.2319,  299722.66, 1055.0665, 1056,   1,  -9, -67, 423,50.0,,N1 O6 S2 ,*,C,70,H,42,N,1,O,6,S,2,,,,,,,,,,,,,,,
     557, 884.020616,  0.2313,  252824.11,  883.0336,  884,   1, -13, -34, 424,61.0,,N1 O1 S2 ,*,C,65,H,10,N,1,O,1,S,2,,,,,,,,,,,,,,,
     558, 832.712866,  0.2312,  392754.30,  831.7831,  832,   1,  -8, 217, 425, 0.0,,,No Hit
     559, 964.388520,  0.2303,  149602.41,  963.3117,  964,   1,  -3,-312, 426,33.0,,N1 O8 S1 ,*,C,61,H,58,N,1,O,8,S,1,,,,,,,,,,,,,,,
     560, 544.318849,  0.2294,  550797.34,  543.7111,  544,   1,  -2, 289, 427, 0.0,,,No Hit
     561, 388.120666,  0.2292, 1053015.15,  387.6873,  388,   1,  -4, 313, 428, 0.0,,,No Hit
     562, 896.066458,  0.2287,  370314.56,  895.0660,  896,   1,  -1, -66, 429, 9.0,,N3 O35 ,*,C,22,H,30,N,3,O,35,,,,,,,,,,,,,,,,,
     563, 362.109256,  0.2286, 1164570.64,  361.7049,  362,   1,  -2, 295, 430, 5.0,,N1 O10 ,,C,14,H,20,N,1,O,10,,,,,,,,,,,,,,,,,
     564,1012.407666,  0.2283,  264968.85, 1011.2773, 1012,   1, -11,-277, 431,36.0,,N1 O5 S2 ,*,C,66,H,62,N,1,O,5,S,2,,,,,,,,,,,,,,,
     565,1018.318807,  0.1543,  403752.59, 1017.1818, 1018,   1,  -5,-182, 432,38.0,,N3 O13 ,*,C,60,H,48,N,3,O,13,,,,,,,,,,,,,,,,,
     566,1032.334630,  0.2280,  460139.22, 1031.1820, 1032,   1,  -5,-182, 432,38.0,,N3 O13 ,*,C,61,H,50,N,3,O,13,,,,,,,,,,,,,,,,,
     567,1098.345251,  0.2276,  407237.28, 1097.1189, 1098,   1,  -9,-119, 433,41.0,,N3 O14 ,*,C,65,H,52,N,3,O,14,,,,,,,,,,,,,,,,,
     568, 584.121890,  0.2259,  722083.57,  583.4697,  584,   1,  -5,-470, 434, 8.0,,N3 O18 ,,C,19,H,26,N,3,O,18,,,,,,,,,,,,,,,,,
     569, 296.064550,  0.2257, 1381424.96,  295.7340,  296,   1, -12, 266, 435, 0.0,,,No Hit
     570, 727.923728,  0.2255,  387646.14,  727.1110,  728,   1,  -1,-111, 436,33.0,,N1 O14 S2 ,*,C,35,H,6,N,1,O,14,S,2,,,,,,,,,,,,,,,
     571, 504.122818,  0.2252,  838727.52,  503.5599,  504,   1, -14, 440, 437, 0.0,,,No Hit
     572, 996.313431,  0.2246,  456351.48,  995.2010,  996,   1, -13,-201, 438,40.0,,N3 O11 ,*,C,61,H,46,N,3,O,11,,,,,,,,,,,,,,,,,
     573,1020.881445,  0.2244,  221475.11, 1019.7416, 1020,   1,  -2, 258, 439, 4.0,,N1 O9 ,*,C,62,H,118,N,1,O,9,,,,,,,,,,,,,,,,,
     574, 910.422385,  0.2243,  106420.50,  909.4059,  910,   1,  -1,-406, 440,35.0,,N3 O5 ,*,C,61,H,56,N,3,O,5,,,,,,,,,,,,,,,,,
     575, 844.276190,  0.2242,  369481.10,  843.3335,  844,   1, -11,-334, 441,31.0,,N1 O11 ,*,C,51,H,42,N,1,O,11,,,,,,,,,,,,,,,,,
     576, 213.364304,  0.2242, 1582251.46,  213.1261,  214,   1, -11,-126, 442, 0.0,,,No Hit
     577, 674.178611,  0.2235,  533281.08,  673.4259,  674,   1, -13,-426, 443, 7.0,,N1 O21 ,*,C,24,H,36,N,1,O,21,,,,,,,,,,,,,,,,,
     578, 884.030939,  0.2232,  301995.63,  883.0439,  884,   1, -13, -44, 444,62.0,,N3 O5 ,*,C,63,H,6,N,3,O,5,,,,,,,,,,,,,,,,,
     579, 844.234818,  0.2231,  252580.84,  843.2922,  844,   1, -11,-292, 445,40.0,,N1 O2 S2 ,*,C,58,H,38,N,1,O,2,S,2,,,,,,,,,,,,,,,
     580, 282.251963,  0.2230, 1534019.25,  281.9368,  282,   1, -12,  63, 446, 0.0,,,No Hit
     581, 799.980686,  0.2230,  353531.66,  799.0875,  800,   1, -13, -88, 447,33.0,,N1 O15 S2 ,*,C,39,H,14,N,1,O,15,S,2,,,,,,,,,,,,,,,
     582,1022.145083,  0.2229,  330709.96, 1021.0038, 1022,   1,  -1,  -4, 448,32.0,,N1 O22 S1 ,*,C,49,H,36,N,1,O,22,S,1,,,,,,,,,,,,,,,
     583, 916.329014,  0.2226,  477717.78,  915.3059,  916,   1,  -9,-306, 449,39.0,,N1 O2 S2 ,*,C,63,H,50,N,1,O,2,S,2,,,,,,,,,,,,,,,
     584, 858.240666,  0.2223,  586616.44,  857.2824,  858,   1, -11,-282, 450,28.0,,N1 O15 ,*,C,47,H,40,N,1,O,15,,,,,,,,,,,,,,,,,
     585, 804.792644,  0.2221,  330401.14,  803.8941,  804,   1,  -8, 106, 451,15.0,,O37 S1 ,*,C,15,H,1,,,O,37,S,1,,,,,,,,,,,,,,,
     586, 724.223498,  0.2211,  583302.76,  723.4149,  724,   1,  -5,-415, 452, 0.0,,,No Hit
     587, 844.266233,  0.2203,  514618.91,  843.3236,  844,   1, -11,-324, 453,36.0,,N3 O8 ,*,C,53,H,38,N,3,O,8,,,,,,,,,,,,,,,,,
     588, 906.527647,  0.2203,  194424.74,  905.5155,  906,   1,  -4, 484, 454, 2.0,,N1 O20 ,*,C,41,H,80,N,1,O,20,,,,,,,,,,,,,,,,,
     589, 938.397850,  0.2197,  195690.93,  937.3501,  938,   1,  -1,-350, 455,22.0,,N1 O10 S2 ,,C,53,H,64,N,1,O,10,S,2,,,,,,,,,,,,,,,
     590,1064.865138,  0.2195,  313869.67, 1063.6762, 1064,   1, -14, 324, 456,14.0,,N1 O6 ,*,C,70,H,114,N,1,O,6,,,,,,,,,,,,,,,,,
     591, 654.530871,  0.2193,  368677.68,  653.8001,  654,   1,  -4, 200, 457, 0.0,,,No Hit
     592,1020.307608,  0.2192,  390517.43, 1019.1684, 1020,   1,  -3,-168, 458,51.0,,N3 O6 ,*,C,70,H,42,N,3,O,6,,,,,,,,,,,,,,,,,
     593, 147.551798,  0.2186, 2622933.73,  147.3870,  148,   1,  -7,-387, 459, 0.0,,,No Hit
     594,1020.312117,  0.2186,  257385.65, 1019.1729, 1020,   1,  -3,-173, 460,55.0,,N1 O4 ,*,C,75,H,42,N,1,O,4,,,,,,,,,,,,,,,,,
     595,1026.300615,  0.2182,  417479.84, 1025.1547, 1026,   1, -11,-155, 461, 5.0,,N1 O34 ,*,C,34,H,60,N,1,O,34,,,,,,,,,,,,,,,,,
     596, 874.035817,  0.2182,  353528.20,  873.0599,  874,   1,  -9, -60, 462,60.0,,N1 O6 ,*,C,63,H,8,N,1,O,6,,,,,,,,,,,,,,,,,
     597, 684.184090,  0.2180,  593937.71,  683.4202,  684,   1,  -3,-420, 463, 4.0,,N1 O23 ,*,C,22,H,38,N,1,O,23,,,,,,,,,,,,,,,,,
     598, 224.041201,  0.2175, 1816102.21,  223.7910,  224,   1, -14, 209, 464, 2.0,,N1 O8 ,,C,6,H,10,N,1,O,8,,,,,,,,,,,,,,,,,
     599, 236.077580,  0.2175, 1645319.62,  235.8140,  236,   1,  -2, 186, 465, 2.0,,N1 O7 ,,C,8,H,14,N,1,O,7,,,,,,,,,,,,,,,,,
     600, 596.287492,  0.2170,  640157.22,  595.6217,  596,   1,  -6, 378, 466,12.0,,N1 O4 S2 ,,C,34,H,46,N,1,O,4,S,2,,,,,,,,,,,,,,,
     601, 743.883265,  0.1857,  448335.65,  743.0527,  744,   1, -13, -53, 467, 4.0,,N1 O39 ,*,C,8,H,10,N,1,O,39,,,,,,,,,,,,,,,,,
     602, 884.039559,  0.2166,  122465.00,  883.0525,  884,   1, -13, -53, 467, 4.0,,N1 O39 ,*,C,18,H,30,N,1,O,39,,,,,,,,,,,,,,,,,
     603, 543.641793,  0.2157,  725984.70,  543.0348,  544,   1,  -3, -35, 468, 0.0,,,No Hit
     604, 924.185970,  0.2154,  239684.30,  923.1541,  924,   1,  -1,-154, 469,11.0,,N3 O30 ,*,C,30,H,42,N,3,O,30,,,,,,,,,,,,,,,,,
     605, 910.419136,  0.2153,  105160.92,  909.4026,  910,   1,  -1,-403, 470,13.0,,N3 O18 ,,C,43,H,64,N,3,O,18,,,,,,,,,,,,,,,,,
     606, 286.064936,  0.2152, 1380430.16,  285.7455,  286,   1,  -8, 254, 471, 0.0,,,No Hit
     607, 916.381068,  0.2145,  117098.97,  915.3579,  916,   1,  -9,-358, 472,30.0,,N3 O10 ,*,C,55,H,54,N,3,O,10,,,,,,,,,,,,,,,,,
     608, 213.345648,  0.2142, 1534782.87,  213.1074,  214,   1, -11,-107, 473, 0.0,,,No Hit
     609, 816.018812,  0.1703,  278752.07,  815.1077,  816,   1, -11,-108, 473, 0.0,,,No Hit
     610, 920.202402,  0.2140,  149294.53,  919.1749,  920,   1,  -5,-175, 474,60.0,,N1 O1 ,*,C,72,H,26,N,1,O,1,,,,,,,,,,,,,,,,,
     611, 559.625814,  0.2139,  456153.55,  559.0010,  560,   1,  -1,  -1, 475, 0.0,,,No Hit
     612, 810.177746,  0.2136,  175551.27,  809.2731,  810,   1,  -3,-273, 476,38.0,,N1 O4 S2 ,*,C,53,H,32,N,1,O,4,S,2,,,,,,,,,,,,,,,
     613, 868.247522,  0.2136,  462610.21,  867.2781,  868,   1,  -1,-278, 477,12.0,,N3 O24 ,,C,33,H,46,N,3,O,24,,,,,,,,,,,,,,,,,
     614,1089.214914,  0.2134,  434655.05, 1087.9987, 1088,   1,  -4,   1, 478,29.0,,O27 ,*,C,51,H,45,,,O,27,,,,,,,,,,,,,,,,,
     615, 924.215389,  0.2115,   73987.96,  923.1835,  924,   1,  -1,-184, 479,31.0,,N1 O12 S2 ,*,C,51,H,42,N,1,O,12,S,2,,,,,,,,,,,,,,,
     616, 183.953070,  0.2114, 2378643.71,  183.7477,  184,   1, -12, 252, 480, 0.0,,,No Hit
     617, 924.195564,  0.2113,  206403.95,  923.1637,  924,   1,  -1,-164, 481, 6.0,,N1 O33 ,*,C,28,H,46,N,1,O,33,,,,,,,,,,,,,,,,,
     618,1020.298048,  0.2113,  309020.26, 1019.1588, 1020,   1,  -3,-159, 482,38.0,,N3 O14 ,*,C,59,H,46,N,3,O,14,,,,,,,,,,,,,,,,,
     619,1046.590597,  0.2113,   71387.73, 1045.4220, 1046,   1,  -5,-422, 483, 9.0,,N1 O20 ,*,C,52,H,88,N,1,O,20,,,,,,,,,,,,,,,,,
     620, 856.113637,  0.2104,  363994.77,  855.1577,  856,   1, -13,-158, 484,35.0,,N1 O8 S3 ,,C,49,H,30,N,1,O,8,S,3,,,,,,,,,,,,,,,
     621, 516.165090,  0.2099,  737602.46,  515.5888,  516,   1,  -2, 411, 485, 0.0,,,No Hit
     622,1038.262412,  0.2098,  194916.29, 1037.1031, 1038,   1, -13,-103, 486,37.0,,N1 O12 S2 ,*,C,60,H,48,N,1,O,12,S,2,,,,,,,,,,,,,,,
     623, 774.133795,  0.2094,  254077.71,  773.2694,  774,   1, -11,-270, 487,37.0,,N3 O7 S1 ,*,C,47,H,24,N,3,O,7,S,1,,,,,,,,,,,,,,,
     624, 642.081357,  0.2091,  645015.20,  641.3644,  642,   1,  -3,-365, 488, 0.0,,,No Hit
     625, 880.347208,  0.1861,  382117.77,  879.3643,  880,   1,  -3,-364, 488, 0.0,,,No Hit
     626, 784.091623,  0.2090,  475097.45,  783.2161,  784,   1,  -1,-216, 489,35.0,,N1 O11 S1 ,*,C,45,H,22,N,1,O,11,S,1,,,,,,,,,,,,,,,
     627,1074.226634,  0.2086,  135424.39, 1073.0272, 1074,   1,  -5, -27, 490,29.0,,N3 O25 ,*,C,49,H,44,N,3,O,25,,,,,,,,,,,,,,,,,
     628, 856.103970,  0.2077,  440978.18,  855.1481,  856,   1, -13,-148, 491,50.0,,N1 O8 ,*,C,58,H,18,N,1,O,8,,,,,,,,,,,,,,,,,
     629, 894.763630,  0.2077,  484757.51,  893.7646,  894,   1,  -2, 235, 492,16.0,,N2 O36 S3 ,,C,16,H,3,N,2,O,36,S,3,,,,,,,,,,,,,,,
     630, 832.270004,  0.2070,  501437.34,  831.3407,  832,   1,  -9,-341, 493,12.0,,N1 O19 S1 ,*,C,36,H,50,N,1,O,19,S,1,,,,,,,,,,,,,,,
     631, 810.137497,  0.2069,  558517.45,  809.2329,  810,   1,  -3,-233, 494,35.0,,N3 O7 S2 ,*,C,47,H,28,N,3,O,7,S,2,,,,,,,,,,,,,,,
     632,1012.379966,  0.2066,  507753.46, 1011.2496, 1012,   1, -11,-250, 495,51.0,,N1 O3 ,*,C,75,H,50,N,1,O,3,,,,,,,,,,,,,,,,,
     633,1076.607334,  0.2066,  279029.86, 1075.4052, 1076,   1,  -3,-405, 496, 0.0,,N1 O26 ,*,C,46,H,94,N,1,O,26,,,,,,,,,,,,,,,,,
     634, 910.390313,  0.2063,  172587.67,  909.3738,  910,   1,  -1,-374, 497,40.0,,N1 O4 ,*,C,65,H,52,N,1,O,4,,,,,,,,,,,,,,,,,
     635, 654.516248,  0.2063,  616154.62,  653.7854,  654,   1,  -4, 214, 498, 0.0,,,No Hit
     636, 816.028851,  0.2055,  211353.66,  815.1177,  816,   1, -11,-118, 499, 6.0,,N1 O35 ,*,C,18,H,26,N,1,O,35,,,,,,,,,,,,,,,,,
     637, 956.302299,  0.2048,  342666.89,  955.2345,  956,   1, -11,-235, 500,46.0,,N1 O1 S2 ,*,C,68,H,46,N,1,O,1,S,2,,,,,,,,,,,,,,,
     638, 217.648902,  0.2037, 1886097.66,  217.4059,  218,   1,  -7,-406, 501, 0.0,,,No Hit
     639, 956.821334,  0.2033,  198439.55,  955.7530,  956,   1, -10, 247, 502,37.0,,N2 O27 S2 ,*,C,36,H,1,N,2,O,27,S,2,,,,,,,,,,,,,,,
     640, 844.273175,  0.2032,  275239.74,  843.3305,  844,   1, -11,-331, 503, 9.0,,N1 O24 ,*,C,33,H,50,N,1,O,24,,,,,,,,,,,,,,,,,
     641, 784.103504,  0.2031,  415767.59,  783.2280,  784,   1,  -1,-228, 504,44.0,,N1 O8 ,*,C,52,H,18,N,1,O,8,,,,,,,,,,,,,,,,,
     642, 727.914955,  0.2029,  586002.95,  727.1022,  728,   1,  -1,-102, 505, 8.0,,N3 O34 ,*,C,11,H,10,N,3,O,34,,,,,,,,,,,,,,,,,
     643, 816.249783,  0.2026,  524302.90,  815.3384,  816,   1, -11,-338, 506, 0.0,,,No Hit
     644, 856.100985,  0.2024,  215848.61,  855.1451,  856,   1, -13,-145, 507,54.0,,N1 O3 S1 ,*,C,62,H,18,N,1,O,3,S,1,,,,,,,,,,,,,,,
     645,1038.304570,  0.1546,  485896.83, 1037.1452, 1038,   1, -13,-145, 507,54.0,,N1 O3 S1 ,*,C,75,H,44,N,1,O,3,S,1,,,,,,,,,,,,,,,
     646, 910.424455,  0.2022,  103361.08,  909.4079,  910,   1,  -1,-408, 508, 4.0,,N3 O23 ,,C,36,H,68,N,3,O,23,,,,,,,,,,,,,,,,,
     647, 642.087756,  0.2017,  629393.30,  641.3708,  642,   1,  -3,-371, 509, 0.0,,,No Hit
     648, 193.557777,  0.2015, 1952916.40,  193.3417,  194,   1,  -3,-342, 510, 0.0,,,No Hit
     649, 213.963825,  0.2015, 1859678.24,  213.7249,  214,   1, -10, 275, 511, 6.0,,N1 O3 S2 ,,C,7,H,4,N,1,O,3,S,2,,,,,,,,,,,,,,,
     650, 694.731562,  0.2011,  564149.89,  693.9559,  694,   1,  -6,  44, 512, 0.0,,,No Hit
     651, 743.869560,  0.2009,  164918.24,  743.0390,  744,   1, -13, -39, 513,26.0,,N1 O24 S1 ,,C,26,H,2,N,1,O,24,S,1,,,,,,,,,,,,,,,
     652, 600.631670,  0.2007,  409388.01,  599.9610,  600,   1,  -2,  39, 514, 0.0,,,No Hit
     653, 622.433478,  0.1592,  270686.69,  621.7385,  622,   1,  -8, 261, 515, 5.0,,N1 O3 S2 ,,C,36,H,64,N,1,O,3,S,2,,,,,,,,,,,,,,,
     654,1028.887326,  0.2002,  166676.32, 1027.7385, 1028,   1,  -8, 261, 515, 5.0,,N1 O3 S2 ,,C,65,H,122,N,1,O,3,S,2,,,,,,,,,,,,,,,
     655, 554.532394,  0.1987,  611088.04,  553.9132,  554,   1,  -6,  87, 516, 0.0,,,No Hit
     656, 764.427176,  0.1985,  328146.18,  763.5737,  764,   1,  -6, 426, 517, 4.0,,N1 O8 S3 ,,C,38,H,70,N,1,O,8,S,3,,,,,,,,,,,,,,,
     657, 654.529886,  0.1985,  357492.41,  653.7991,  654,   1,  -4, 201, 518, 0.0,,,No Hit
     658,1074.247311,  0.1980,  277752.37, 1073.0479, 1074,   1,  -5, -48, 519,63.0,,N1 O2 S1 ,*,C,80,H,36,N,1,O,2,S,1,,,,,,,,,,,,,,,
     659, 918.281601,  0.1978,  472421.25,  917.2563,  918,   1,  -7,-256, 520,14.0,,N3 O21 S1 ,,C,38,H,52,N,3,O,21,S,1,,,,,,,,,,,,,,,
     660, 880.345086,  0.1978,  545704.35,  879.3621,  880,   1,  -3,-362, 521,28.0,,N3 O11 ,*,C,51,H,50,N,3,O,11,,,,,,,,,,,,,,,,,
     661, 300.205008,  0.1973, 1462482.53,  299.8698,  300,   1,  -8, 130, 522, 0.0,,,No Hit
     662,1022.161294,  0.1973,  330847.80, 1021.0200, 1022,   1,  -1, -20, 523,63.0,,N1 O6 ,*,C,74,H,24,N,1,O,6,,,,,,,,,,,,,,,,,
     663, 956.796359,  0.1973,  303021.24,  955.7280,  956,   1, -10, 272, 524, 1.0,,N1 O3 S3 ,*,C,57,H,114,N,1,O,3,S,3,,,,,,,,,,,,,,,
     664, 736.714042,  0.1970,  281990.69,  735.8915,  736,   1,  -6, 108, 525, 0.0,,,No Hit
     665, 284.266766,  0.1969, 1337871.04,  283.9494,  284,   1, -10,  51, 526, 0.0,,,No Hit
     666, 954.300147,  0.1969,  601679.60,  953.2346,  954,   1, -13,-235, 527,17.0,,N3 O23 ,*,C,41,H,52,N,3,O,23,,,,,,,,,,,,,,,,,
     667, 768.710643,  0.1964,  597141.87,  767.8523,  768,   1,  -2, 148, 528, 0.0,,,No Hit
     668, 920.188503,  0.1957,  208661.82,  919.1611,  920,   1,  -5,-161, 529,43.0,,N3 O11 ,*,C,56,H,30,N,3,O,11,,,,,,,,,,,,,,,,,
     669, 964.361737,  0.1956,  186616.82,  963.2850,  964,   1,  -3,-285, 530,47.0,,N1 O1 S1 ,*,C,71,H,50,N,1,O,1,S,1,,,,,,,,,,,,,,,
     670, 784.095721,  0.1954,  642350.76,  783.2202,  784,   1,  -1,-220, 531, 0.0,,,No Hit
     671, 676.202339,  0.1953,  573022.51,  675.4473,  676,   1, -11,-447, 532, 0.0,,,No Hit
     672, 906.505745,  0.1952,  263757.63,  905.4936,  906,   1,  -5,-494, 533, 0.0,,,No Hit
     673,1028.918543,  0.1947,  328622.14, 1027.7697, 1028,   1,  -8, 230, 534,41.0,,O30 ,*,C,45,H,9,,,O,30,,,,,,,,,,,,,,,,,
     674, 696.689453,  0.1947,  451308.41,  695.9116,  696,   1,  -4,  88, 535, 0.0,,,No Hit
     675, 964.403591,  0.1945,  428322.96,  963.3268,  964,   1,  -3,-327, 536,11.0,,N1 O23 ,*,C,43,H,66,N,1,O,23,,,,,,,,,,,,,,,,,
     676, 916.359342,  0.1944,  442321.39,  915.3362,  916,   1,  -9,-336, 537,20.0,,N1 O9 S3 ,,C,50,H,62,N,1,O,9,S,3,,,,,,,,,,,,,,,
     677,1089.206531,  0.1944,  416613.86, 1087.9904, 1088,   1,  -4,  10, 538,16.0,,O35 ,*,C,40,H,49,,,O,35,,,,,,,,,,,,,,,,,
     678, 968.212395,  0.1941,  431623.81,  967.1313,  968,   1, -13,-131, 539,11.0,,N3 O31 ,*,C,32,H,46,N,3,O,31,,,,,,,,,,,,,,,,,
     679, 924.165490,  0.1936,  392603.71,  923.1336,  924,   1,  -1,-134, 540,42.0,,N3 O10 S1 ,*,C,55,H,30,N,3,O,10,S,1,,,,,,,,,,,,,,,
     680, 582.324980,  0.1722,  500108.88,  581.6748,  582,   1,  -6, 325, 541, 2.0,,N3 O7 S2 ,,C,26,H,52,N,3,O,7,S,2,,,,,,,,,,,,,,,
     681, 988.778945,  0.1935,  238044.77,  987.6749,  988,   1,  -6, 325, 541, 2.0,,N3 O7 S2 ,,C,55,H,110,N,3,O,7,S,2,,,,,,,,,,,,,,,
     682, 880.376639,  0.1934,  153541.65,  879.3937,  880,   1,  -3,-394, 542,17.0,,N1 O11 S2 ,*,C,47,H,62,N,1,O,11,S,2,,,,,,,,,,,,,,,
     683, 642.075260,  0.1928,  288516.12,  641.3583,  642,   1,  -3,-358, 543, 6.0,,N3 O24 ,,C,16,H,24,N,3,O,24,,,,,,,,,,,,,,,,,
     684, 942.606952,  0.1927,  212648.66,  941.5545,  942,   1, -10, 445, 544,11.0,,N3 O7 S2 ,,C,53,H,88,N,3,O,7,S,2,,,,,,,,,,,,,,,
     685, 956.270879,  0.1926,  166597.56,  955.2032,  956,   1, -11,-203, 545,39.0,,N1 O12 ,*,C,59,H,42,N,1,O,12,,,,,,,,,,,,,,,,,
     686, 934.836812,  0.1886,  293799.23,  933.7930,  934,   1,  -4, 207, 546,34.0,,N2 O27 S2 ,*,C,34,H,3,N,2,O,27,S,2,,,,,,,,,,,,,,,
     687, 948.852611,  0.1918,  393400.82,  947.7932,  948,   1,  -4, 207, 546,34.0,,N2 O27 S2 ,*,C,35,H,5,N,2,O,27,S,2,,,,,,,,,,,,,,,
     688, 726.176840,  0.1916,  504789.79,  725.3660,  726,   1,  -3,-366, 547,32.0,,N1 O9 ,*,C,45,H,28,N,1,O,9,,,,,,,,,,,,,,,,,
     689, 910.384195,  0.1914,  321711.07,  909.3677,  910,   1,  -1,-368, 548,22.0,,N1 O12 S1 ,,C,51,H,60,N,1,O,12,S,1,,,,,,,,,,,,,,,
     690, 924.209938,  0.1914,   72983.66,  923.1780,  924,   1,  -1,-178, 549,40.0,,N1 O7 S2 ,*,C,58,H,38,N,1,O,7,S,2,,,,,,,,,,,,,,,
     691, 222.048917,  0.1909, 1779935.42,  221.8010,  222,   1,  -2, 199, 550, 0.0,,,No Hit
     692, 572.347999,  0.1907,  720628.74,  571.7089,  572,   1,  -2, 291, 551, 0.0,,,No Hit
     693, 810.613976,  0.1628,  461666.74,  809.7089,  810,   1,  -2, 291, 551, 0.0,,,No Hit
     694, 906.515310,  0.1906,  101469.53,  905.5031,  906,   1,  -4, 497, 552,11.0,,N3 O12 S1 ,,C,47,H,76,N,3,O,12,S,1,,,,,,,,,,,,,,,
     695, 810.154488,  0.1905,  351202.90,  809.2499,  810,   1,  -3,-250, 553, 9.0,,N3 O27 ,,C,25,H,36,N,3,O,27,,,,,,,,,,,,,,,,,
     696, 810.591004,  0.1904,  364064.91,  809.6859,  810,   1,  -2, 314, 554, 0.0,,,No Hit
     697, 656.209388,  0.1903,  632221.97,  655.4767,  656,   1,  -3,-477, 555,16.0,,N3 O13 ,,C,31,H,34,N,3,O,13,,,,,,,,,,,,,,,,,
     698, 910.396480,  0.1903,  556261.09,  909.3800,  910,   1,  -1,-380, 556,31.0,,N1 O9 ,*,C,58,H,56,N,1,O,9,,,,,,,,,,,,,,,,,
     699, 832.278625,  0.1820,  431038.00,  831.3493,  832,   1,  -9,-349, 557, 0.0,,,No Hit
     700, 916.372331,  0.1902,  590692.63,  915.3492,  916,   1,  -9,-349, 557, 0.0,,,No Hit
     701, 756.249726,  0.1898,  670333.85,  755.4053,  756,   1,  -1,-405, 558, 0.0,,,No Hit
     702,1089.203149,  0.1895,  286733.96, 1087.9870, 1088,   1,  -4,  13, 559,47.0,,O17 ,*,C,65,H,37,,,O,17,,,,,,,,,,,,,,,,,
     703, 236.064553,  0.1892, 1685438.54,  235.8010,  236,   1,  -2, 199, 560, 0.0,,,No Hit
     704, 552.174843,  0.1892,  663536.37,  551.5583,  552,   1,  -8, 442, 561, 0.0,,,No Hit
     705, 764.430182,  0.1891,  169750.31,  763.5767,  764,   1,  -6, 423, 562, 0.0,,,No Hit
     706, 838.255267,  0.1891,  531770.87,  837.3193,  838,   1,  -3,-319, 563, 0.0,,,No Hit
     707, 183.962504,  0.1890, 2060238.62,  183.7571,  184,   1, -12, 243, 564, 0.0,,,No Hit
     708, 764.463991,  0.1889,  447402.10,  763.6104,  764,   1,  -6, 389, 565, 0.0,,,No Hit
     709, 774.128957,  0.1889,  279230.38,  773.2646,  774,   1, -11,-265, 566,55.0,,N1 ,*,C,62,H,16,N,1,,,,,,,,,,,,,,,,,,,
     710, 832.751812,  0.1888,  340980.95,  831.8220,  832,   1,  -8, 178, 567,16.0,,O34 S3 ,*,C,16,H,1,,,O,34,S,3,,,,,,,,,,,,,,,
     711,1020.859422,  0.1883,  147858.27, 1019.7196, 1020,   1,  -2, 280, 568,40.0,,O30 S1 ,*,C,42,H,5,,,O,30,S,1,,,,,,,,,,,,,,,
     712, 251.580959,  0.1881, 1672231.78,  251.3001,  252,   1,  -1,-300, 569, 0.0,,,No Hit
     713, 240.059474,  0.1877, 1662490.78,  239.7914,  240,   1, -12, 209, 570, 0.0,,,No Hit
     714, 690.218017,  0.1869,  684930.30,  689.4474,  690,   1, -11,-447, 571, 0.0,,,No Hit
     715,1099.020515,  0.1865,  195407.84, 1097.7934, 1098,   1,  -8, 206, 572,76.0,,N2 O8 ,*,C,78,H,7,N,2,O,8,,,,,,,,,,,,,,,,,
     716,1038.237388,  0.1864,  227386.89, 1037.0781, 1038,   1, -13, -78, 573,47.0,,N1 O10 S1 ,*,C,66,H,40,N,1,O,10,S,1,,,,,,,,,,,,,,,
     717, 655.885215,  0.1863,  481316.52,  655.1529,  656,   1,  -3,-153, 574, 0.0,,,No Hit
     718, 934.309109,  0.1863,  412714.91,  933.2659,  934,   1,  -5,-266, 575,30.0,,N1 O9 S2 ,*,C,55,H,52,N,1,O,9,S,2,,,,,,,,,,,,,,,
     719, 640.037742,  0.1860,  534632.24,  639.3231,  640,   1,  -5,-323, 576,24.0,,N1 O10 S2 ,,C,32,H,18,N,1,O,10,S,2,,,,,,,,,,,,,,,
     720, 852.270888,  0.1858,  534820.21,  851.3193,  852,   1,  -3,-319, 577, 0.0,,,No Hit
     721, 566.190528,  0.1857,  739260.34,  565.5583,  566,   1,  -8, 442, 578,24.0,,N3 O2 S1 ,,C,36,H,28,N,3,O,2,S,1,,,,,,,,,,,,,,,
     722, 736.715231,  0.1856,  274233.02,  735.8927,  736,   1,  -6, 107, 579, 0.0,,,No Hit
     723, 948.838754,  0.1855,  306905.35,  947.7793,  948,   1,  -4, 221, 580, 8.0,,N1 O5 ,*,C,62,H,110,N,1,O,5,,,,,,,,,,,,,,,,,
     724, 956.786494,  0.1855,  248047.84,  955.7182,  956,   1, -10, 282, 581,16.0,,N1 O3 ,*,C,66,H,102,N,1,O,3,,,,,,,,,,,,,,,,,
     725,1020.290321,  0.1855,   74018.43, 1019.1511, 1020,   1,  -3,-151, 582,60.0,,N1 O2 ,*,C,78,H,38,N,1,O,2,,,,,,,,,,,,,,,,,
     726, 762.467371,  0.1854,  304518.75,  761.6160,  762,   1,  -8, 384, 583,18.0,,N3 O3 S1 ,,C,48,H,64,N,3,O,3,S,1,,,,,,,,,,,,,,,
     727, 856.117758,  0.1854,  234886.51,  855.1619,  856,   1, -13,-162, 584, 1.0,,N1 O36 ,*,C,19,H,38,N,1,O,36,,,,,,,,,,,,,,,,,
     728, 604.159948,  0.1850,  630342.20,  603.4854,  604,   1, -13,-485, 585, 0.0,,,No Hit
     729,1020.874499,  0.1847,  190790.29, 1019.7346, 1020,   1,  -2, 265, 586,44.0,,O27 S1 ,*,C,46,H,5,,,O,27,S,1,,,,,,,,,,,,,,,
     730, 694.738516,  0.1847,  439440.05,  693.9628,  694,   1,  -6,  37, 587, 0.0,,,No Hit
     731, 832.707299,  0.1845,  440189.32,  831.7775,  832,   1,  -8, 222, 588, 0.0,,N1 O7 S1 ,,C,48,H,98,N,1,O,7,S,1,,,,,,,,,,,,,,,
     732, 920.200074,  0.1842,  144557.64,  919.1726,  920,   1,  -5,-173, 589,25.0,,N3 O21 ,,C,42,H,38,N,3,O,21,,,,,,,,,,,,,,,,,
     733, 655.899443,  0.1839,  419131.64,  655.1671,  656,   1,  -3,-167, 590, 0.0,,,No Hit
     734, 956.297308,  0.1835,  530391.93,  955.2296,  956,   1, -11,-230, 591,43.0,,N3 O8 ,*,C,62,H,42,N,3,O,8,,,,,,,,,,,,,,,,,
     735,1020.864133,  0.1832,  393114.68, 1019.7243, 1020,   1,  -2, 276, 592,49.0,,N2 O24 S1 ,*,C,48,H,1,N,2,O,24,S,1,,,,,,,,,,,,,,,
     736, 710.199717,  0.1829,  596743.98,  709.4067,  710,   1,  -5,-407, 593, 5.0,,N1 O23 ,*,C,24,H,40,N,1,O,23,,,,,,,,,,,,,,,,,
     737, 934.849156,  0.1828,  325407.35,  933.8053,  934,   1,  -4, 195, 594,25.0,,O35 S1 ,*,C,28,H,7,,,O,35,S,1,,,,,,,,,,,,,,,
     738, 884.027403,  0.1826,  245491.43,  883.0403,  884,   1, -13, -40, 595,40.0,,N3 O18 ,*,C,45,H,14,N,3,O,18,,,,,,,,,,,,,,,,,
     739,1046.574529,  0.1821,  235993.96, 1045.4060, 1046,   1,  -5,-406, 596,23.0,,N3 O12 ,,C,61,H,80,N,3,O,12,,,,,,,,,,,,,,,,,
     740, 844.247157,  0.1815,  251246.96,  843.3045,  844,   1, -11,-305, 597, 0.0,,,No Hit
     741,1074.253604,  0.1811,  117524.91, 1073.0541, 1074,   1,  -5, -54, 598,54.0,,N1 O7 S1 ,*,C,73,H,40,N,1,O,7,S,1,,,,,,,,,,,,,,,
     742, 908.297146,  0.1810,  492182.36,  907.2830,  908,   1,  -3,-283, 599, 0.0,,,No Hit
     743, 653.760853,  0.1809,  509147.98,  653.0309,  654,   1,  -5, -31, 600, 0.0,,,No Hit
     744, 938.424657,  0.1803,  147760.64,  937.3769,  938,   1,  -1,-377, 601,35.0,,N1 O4 S1 ,*,C,64,H,60,N,1,O,4,S,1,,,,,,,,,,,,,,,
     745, 832.730038,  0.1803,  160153.72,  831.8003,  832,   1,  -8, 200, 602, 9.0,,N3 O3 ,,C,54,H,94,N,3,O,3,,,,,,,,,,,,,,,,,
     746, 572.350619,  0.1801,  856864.03,  571.7116,  572,   1,  -2, 288, 603, 0.0,,,No Hit
     747, 810.616833,  0.1681,  382618.93,  809.7117,  810,   1,  -2, 288, 603, 0.0,,,No Hit
     748,1038.273735,  0.1799,   93388.59, 1037.1144, 1038,   1, -13,-115, 604,20.0,,N1 O27 ,*,C,45,H,52,N,1,O,27,,,,,,,,,,,,,,,,,
     749, 762.484776,  0.1799,  177243.59,  761.6334,  762,   1,  -8, 367, 605,18.0,,N3 O5 ,,C,48,H,64,N,3,O,5,,,,,,,,,,,,,,,,,
     750, 662.223104,  0.1791,  635381.45,  661.4837,  662,   1, -11,-484, 606, 0.0,,,No Hit
     751,1098.420605,  0.1788,  319756.33, 1097.1942, 1098,   1,  -9,-194, 607, 8.0,,N3 O30 ,*,C,42,H,72,N,3,O,30,,,,,,,,,,,,,,,,,
     752, 810.609314,  0.1786,  176618.37,  809.7042,  810,   1,  -2, 296, 608, 0.0,,,No Hit
     753, 948.828437,  0.1785,  482230.32,  947.7690,  948,   1,  -4, 231, 609,26.0,,O36 S1 ,*,C,28,H,5,,,O,36,S,1,,,,,,,,,,,,,,,
     754,1026.345085,  0.1782,  443255.30, 1025.1991, 1026,   1, -11,-199, 610,35.0,,N3 O14 ,*,C,59,H,52,N,3,O,14,,,,,,,,,,,,,,,,,
     755, 916.369816,  0.1781,  337554.08,  915.3466,  916,   1,  -9,-347, 611,30.0,,N1 O11 ,*,C,56,H,54,N,1,O,11,,,,,,,,,,,,,,,,,
     756, 782.036972,  0.1779,  212113.28,  781.1638,  782,   1,  -3,-164, 612,14.0,,N1 O20 S3 ,*,C,27,H,28,N,1,O,20,S,3,,,,,,,,,,,,,,,
     757, 743.866994,  0.1778,  159834.11,  743.0364,  744,   1, -13, -37, 613,30.0,,N1 O19 S2 ,*,C,30,H,2,N,1,O,19,S,2,,,,,,,,,,,,,,,
     758, 554.238172,  0.1777,  484185.79,  553.6193,  554,   1,  -6, 381, 614, 0.0,,,No Hit
     759, 880.328016,  0.1777,  157585.89,  879.3451,  880,   1,  -3,-345, 615,37.0,,N1 O7 ,*,C,59,H,46,N,1,O,7,,,,,,,,,,,,,,,,,
     760, 883.988978,  0.1777,  450333.31,  883.0020,  884,   1, -13,  -2, 616,27.0,,N1 O25 S1 ,*,C,35,H,18,N,1,O,25,S,1,,,,,,,,,,,,,,,
     761, 694.735946,  0.1776,  338752.34,  693.9602,  694,   1,  -6,  40, 617, 0.0,,,No Hit
     762, 906.533042,  0.1776,  432757.79,  905.5209,  906,   1,  -4, 479, 618,11.0,,N3 O14 ,,C,47,H,76,N,3,O,14,,,,,,,,,,,,,,,,,
     763, 660.187702,  0.1775,  603495.30,  659.4506,  660,   1, -13,-451, 619,24.0,,N1 O10 ,*,C,38,H,30,N,1,O,10,,,,,,,,,,,,,,,,,
     764, 924.204854,  0.1771,  520174.76,  923.1729,  924,   1,  -1,-173, 620,19.0,,N1 O25 ,*,C,39,H,42,N,1,O,25,,,,,,,,,,,,,,,,,
     765, 868.235167,  0.1771,  331357.24,  867.2657,  868,   1,  -1,-266, 621,42.0,,N1 O2 S2 ,*,C,60,H,38,N,1,O,2,S,2,,,,,,,,,,,,,,,
     766, 672.166730,  0.1770,  253811.29,  671.4162,  672,   1,  -1,-416, 622,20.0,,N3 O5 S3 ,,C,35,H,34,N,3,O,5,S,3,,,,,,,,,,,,,,,
     767, 998.325731,  0.1769,  410144.63,  997.2110,  998,   1, -11,-211, 623,17.0,,N3 O24 ,,C,43,H,56,N,3,O,24,,,,,,,,,,,,,,,,,
     768, 794.265444,  0.1767,  455561.55,  793.3786,  794,   1,  -5,-379, 624, 0.0,,,No Hit
     769, 726.161164,  0.1757,  493819.24,  725.3504,  726,   1,  -3,-350, 625,46.0,,N3 O1 ,*,C,54,H,20,N,3,O,1,,,,,,,,,,,,,,,,,
     770, 784.088708,  0.1754,  354067.18,  783.2132,  784,   1,  -1,-213, 626,40.0,,N1 O11 ,*,C,48,H,18,N,1,O,11,,,,,,,,,,,,,,,,,
     771, 762.487644,  0.1751,  176217.68,  761.6363,  762,   1,  -8, 364, 627, 0.0,,,No Hit
     772,1064.852363,  0.1750,  311281.10, 1063.6634, 1064,   1, -14, 336, 628,36.0,,O32 S2 ,*,C,40,H,9,,,O,32,S,2,,,,,,,,,,,,,,,
     773, 948.842019,  0.1749,  413693.30,  947.7826,  948,   1,  -4, 217, 629, 3.0,,N1 O5 S1 ,*,C,59,H,114,N,1,O,5,S,1,,,,,,,,,,,,,,,
     774, 620.207522,  0.1748,  736051.33,  619.5150,  620,   1, -10, 485, 630, 0.0,,,No Hit
     775, 784.097765,  0.1745,  416880.74,  783.2223,  784,   1,  -1,-222, 631,53.0,,N1 O3 ,*,C,59,H,14,N,1,O,3,,,,,,,,,,,,,,,,,
     776, 794.771107,  0.1744,  404343.91,  793.8837,  794,   1,  -4, 116, 632, 5.0,,N2 O40 S2 ,,C,5,H,3,N,2,O,40,S,2,,,,,,,,,,,,,,,
     777, 608.470390,  0.1740,  498308.74,  607.7910,  608,   1,  -8, 209, 633, 0.0,,,No Hit
     778, 880.881994,  0.1738,  317854.57,  879.8984,  880,   1,  -2, 101, 634,39.0,,O20 S2 ,*,C,41,H,5,,,O,20,S,2,,,,,,,,,,,,,,,
     779, 794.739786,  0.1737,  310355.16,  793.8524,  794,   1,  -4, 148, 635, 6.0,,N1 O3 ,,C,53,H,96,N,1,O,3,,,,,,,,,,,,,,,,,
     780, 832.264958,  0.1737,  658718.93,  831.3357,  832,   1,  -9,-336, 636,48.0,,N1 O1 ,*,C,64,H,34,N,1,O,1,,,,,,,,,,,,,,,,,
     781, 596.554527,  0.1732,  375087.68,  595.8884,  596,   1,  -6, 111, 637, 0.0,,,No Hit
     782,1022.158156,  0.1732,  483407.99, 1021.0169, 1022,   1,  -1, -17, 638,67.0,,N1 O1 S1 ,*,C,78,H,24,N,1,O,1,S,1,,,,,,,,,,,,,,,
     783, 147.551614,  0.1728, 2910155.78,  147.3869,  148,   1,  -7,-387, 639, 0.0,,,No Hit
     784, 896.994880,  0.1724,  368937.33,  895.9933,  896,   1, -14,   7, 640,50.0,,O15 ,*,C,54,H,9,,,O,15,,,,,,,,,,,,,,,,,
     785,1048.695697,  0.1723,  351519.52, 1047.5248, 1048,   1,  -2, 475, 641, 0.0,,,No Hit
     786, 896.997179,  0.1722,  640707.16,  895.9956,  896,   1, -14,   4, 642,19.0,,O33 ,*,C,29,H,21,,,O,33,,,,,,,,,,,,,,,,,
     787, 890.494670,  0.1722,  272428.72,  889.5004,  890,   1,  -6, 500, 643,34.0,,N1 O2 ,*,C,65,H,64,N,1,O,2,,,,,,,,,,,,,,,,,
     788, 810.198763,  0.1720,  303362.73,  809.2941,  810,   1,  -3,-294, 644,33.0,,N1 O6 S2 ,*,C,50,H,36,N,1,O,6,S,2,,,,,,,,,,,,,,,
     789, 830.275141,  0.1719,  525969.94,  829.3481,  830,   1, -11,-348, 645,26.0,,N3 O10 S1 ,,C,46,H,44,N,3,O,10,S,1,,,,,,,,,,,,,,,
     790,1020.905357,  0.1719,  492998.57, 1019.7655, 1020,   1,  -2, 234, 646,52.0,,O21 S1 ,*,C,54,H,5,,,O,21,S,1,,,,,,,,,,,,,,,
     791,1038.242442,  0.1718,  234907.46, 1037.0832, 1038,   1, -13, -83, 647,12.0,,N1 O33 ,*,C,37,H,52,N,1,O,33,,,,,,,,,,,,,,,,,
     792, 868.262883,  0.1717,  332023.74,  867.2934,  868,   1,  -1,-294, 648,16.0,,N3 O21 ,,C,37,H,46,N,3,O,21,,,,,,,,,,,,,,,,,
     793,1099.043254,  0.1714,  237391.36, 1097.8161, 1098,   1,  -8, 184, 649,79.0,,O3 S1 ,*,C,84,H,11,,,O,3,S,1,,,,,,,,,,,,,,,
     794, 570.085022,  0.1712,  285044.71,  569.4485,  570,   1,  -5,-449, 650,13.0,,N3 O16 ,,C,21,H,20,N,3,O,16,,,,,,,,,,,,,,,,,
     795, 810.128841,  0.1712,  450955.99,  809.2243,  810,   1,  -3,-224, 651,58.0,,N1 ,*,C,65,H,16,N,1,,,,,,,,,,,,,,,,,,,
     796, 810.607070,  0.1711,  174383.86,  809.7020,  810,   1,  -2, 298, 652, 0.0,,N3 O7 S2 ,,C,42,H,88,N,3,O,7,S,2,,,,,,,,,,,,,,,
     797, 964.359160,  0.1711,  178046.37,  963.2824,  964,   1,  -3,-282, 653,24.0,,N1 O9 S3 ,,C,54,H,62,N,1,O,9,S,3,,,,,,,,,,,,,,,
     798, 654.532084,  0.1707,  616691.74,  653.8013,  654,   1,  -4, 199, 654, 2.0,,N1 O2 S2 ,,C,39,H,76,N,1,O,2,S,2,,,,,,,,,,,,,,,
     799, 670.311088,  0.1707,  497641.21,  669.5627,  670,   1,  -2, 437, 655, 4.0,,N1 O14 S1 ,*,C,29,H,52,N,1,O,14,S,1,,,,,,,,,,,,,,,
     800, 554.209091,  0.1706,  489047.62,  553.5903,  554,   1,  -6, 410, 656, 5.0,,N1 O15 ,,C,22,H,36,N,1,O,15,,,,,,,,,,,,,,,,,
     801,1012.387948,  0.1705,   92158.05, 1011.2576, 1012,   1, -11,-258, 657,11.0,,N1 O26 ,*,C,43,H,66,N,1,O,26,,,,,,,,,,,,,,,,,
     802, 664.446004,  0.1704,  534534.42,  663.7041,  664,   1,  -8, 296, 658, 0.0,,,No Hit
     803, 910.363864,  0.1704,  359136.04,  909.3474,  910,   1,  -1,-347, 659,26.0,,N1 O5 S3 ,,C,55,H,60,N,1,O,5,S,3,,,,,,,,,,,,,,,
     804, 916.350391,  0.1701,  152620.24,  915.3272,  916,   1,  -9,-327, 660,34.0,,N1 O4 S2 ,,C,60,H,54,N,1,O,4,S,2,,,,,,,,,,,,,,,
     805, 727.912504,  0.1697,  500803.64,  727.0998,  728,   1,  -1,-100, 661,12.0,,N3 O29 S1 ,,C,15,H,10,N,3,O,29,S,1,,,,,,,,,,,,,,,
     806, 924.229063,  0.1696,  531867.16,  923.1971,  924,   1,  -1,-197, 662,54.0,,N3 O3 ,*,C,67,H,30,N,3,O,3,,,,,,,,,,,,,,,,,
     807, 608.455485,  0.1692,  435170.83,  607.7761,  608,   1,  -8, 224, 663, 0.0,,,No Hit
     808, 972.840357,  0.1690,  345828.85,  971.7541,  972,   1,  -8, 246, 664,37.0,,O33 ,*,C,37,H,1,,,O,33,,,,,,,,,,,,,,,,,
     809,1028.929671,  0.1690,  163014.47, 1027.7808, 1028,   1,  -8, 219, 665,23.0,,O40 ,*,C,31,H,17,,,O,40,,,,,,,,,,,,,,,,,
     810, 694.769660,  0.1688,  308843.92,  693.9939,  694,   1,  -6,   6, 666, 0.0,,,No Hit
     811, 688.202416,  0.1683,  488961.94,  687.4340,  688,   1, -13,-434, 667, 0.0,,,No Hit
     812, 948.888421,  0.1681,  402115.09,  947.8289,  948,   1,  -4, 171, 668,34.0,,N2 O31 ,,C,35,H,5,N,2,O,31,,,,,,,,,,,,,,,,,
     813, 856.005986,  0.1675,  279561.79,  855.0502,  856,   1, -13, -50, 669,35.0,,N1 O21 ,*,C,41,H,14,N,1,O,21,,,,,,,,,,,,,,,,,
     814, 577.859348,  0.1674,  269328.08,  577.2141,  578,   1, -11,-214, 670, 0.0,,,No Hit
     815, 572.434642,  0.1674,  215727.02,  571.7955,  572,   1,  -2, 204, 671, 0.0,,,No Hit
     816, 810.573553,  0.1673,  149508.13,  809.6685,  810,   1,  -2, 331, 672, 6.0,,N1 O11 ,*,C,45,H,80,N,1,O,11,,,,,,,,,,,,,,,,,
     817, 177.868308,  0.1673, 2488924.97,  177.6697,  178,   1,  -4, 330, 673, 0.0,,,No Hit
     818, 942.057699,  0.1669,  339963.53,  941.0058,  942,   1, -11,  -6, 674,58.0,,N3 O9 ,*,C,62,H,12,N,3,O,9,,,,,,,,,,,,,,,,,
     819, 874.020078,  0.1669,  436554.77,  873.0442,  874,   1,  -9, -44, 675,56.0,,N1 O9 ,*,C,59,H,8,N,1,O,9,,,,,,,,,,,,,,,,,
     820, 640.048117,  0.1668,  494771.17,  639.3335,  640,   1,  -5,-334, 676,25.0,,N3 O14 ,,C,30,H,14,N,3,O,14,,,,,,,,,,,,,,,,,
     821, 774.137980,  0.1667,  561572.87,  773.2736,  774,   1, -11,-274, 677,41.0,,N1 O5 S1 ,*,C,52,H,24,N,1,O,5,S,1,,,,,,,,,,,,,,,
     822, 804.814861,  0.1667,  551002.02,  803.9162,  804,   1,  -8,  84, 678, 0.0,,,No Hit
     823, 620.520250,  0.1664,  441042.28,  619.8274,  620,   1, -10, 173, 679,13.0,,N1 ,,C,45,H,66,N,1,,,,,,,,,,,,,,,,,,,
     824, 684.186297,  0.1664,  630412.94,  683.4224,  684,   1,  -3,-422, 680, 0.0,,,No Hit
     825, 964.407413,  0.1663,  419685.93,  963.3306,  964,   1,  -3,-331, 681,32.0,,N1 O5 S2 ,*,C,62,H,62,N,1,O,5,S,2,,,,,,,,,,,,,,,
     826, 554.527982,  0.1662,  971165.74,  553.9088,  554,   1,  -6,  91, 682, 0.0,,,No Hit
     827, 948.833682,  0.1662,  206711.66,  947.7743,  948,   1,  -4, 226, 683,35.0,,N2 O30 S1 ,,C,34,H,1,N,2,O,30,S,1,,,,,,,,,,,,,,,
     828, 638.180759,  0.1661,  635842.85,  637.4682,  638,   1,  -7,-468, 684, 0.0,,,No Hit
     829, 620.170122,  0.1661,  645406.77,  619.4777,  620,   1, -11,-478, 685, 0.0,,,No Hit
     830, 702.196834,  0.1660,  582838.25,  701.4128,  702,   1, -13,-413, 686, 0.0,,,No Hit
     831,1088.357813,  0.1659,  315902.00, 1087.1426, 1088,   1,  -5,-143, 687,17.0,,N3 O27 ,,C,46,H,62,N,3,O,27,,,,,,,,,,,,,,,,,
     832, 936.289860,  0.1659,  674735.44,  935.2444,  936,   1,  -3,-245, 688, 0.0,,N1 O33 ,*,C,28,H,58,N,1,O,33,,,,,,,,,,,,,,,,,
     833,1056.254898,  0.1658,  443727.33, 1055.0755, 1056,   1,  -9, -76, 689,64.0,,N1 O3 ,*,C,80,H,34,N,1,O,3,,,,,,,,,,,,,,,,,
     834, 964.400727,  0.1656,  176560.45,  963.3239,  964,   1,  -3,-324, 690,42.0,,N1 O5 ,*,C,68,H,54,N,1,O,5,,,,,,,,,,,,,,,,,
     835,1046.596815,  0.1656,  392260.22, 1045.4282, 1046,   1,  -5,-428, 691, 0.0,,N1 O25 ,*,C,45,H,92,N,1,O,25,,,,,,,,,,,,,,,,,
     836, 726.232245,  0.1655,  523953.91,  725.4214,  726,   1,  -3,-421, 692,30.0,,N1 O5 S1 ,,C,47,H,36,N,1,O,5,S,1,,,,,,,,,,,,,,,
     837, 880.340050,  0.1653,  366049.07,  879.3571,  880,   1,  -3,-357, 693,19.0,,N1 O17 ,*,C,45,H,54,N,1,O,17,,,,,,,,,,,,,,,,,
     838, 880.850262,  0.1652,  315285.19,  879.8667,  880,   1,  -2, 133, 694,23.0,,N2 O33 S1 ,,C,24,H,5,N,2,O,33,S,1,,,,,,,,,,,,,,,
     839, 675.861300,  0.1651,  558804.69,  675.1067,  676,   1, -11,-107, 695,14.0,,N3 O22 S3 ,,C,15,H,6,N,3,O,22,S,3,,,,,,,,,,,,,,,
     840, 794.321129,  0.1651,  328329.35,  793.4342,  794,   1,  -5,-434, 696,35.0,,N3 O1 S1 ,*,C,55,H,44,N,3,O,1,S,1,,,,,,,,,,,,,,,
     841, 743.876753,  0.1650,  468242.39,  743.0462,  744,   1, -13, -46, 697, 4.0,,N3 O36 S1 ,,C,7,H,10,N,3,O,36,S,1,,,,,,,,,,,,,,,
     842, 642.080112,  0.1648,  725216.65,  641.3632,  642,   1,  -3,-363, 698, 9.0,,N1 O17 S2 ,*,C,22,H,28,N,1,O,17,S,2,,,,,,,,,,,,,,,
     843, 586.207052,  0.1647,  646074.89,  585.5525,  586,   1,  -2, 447, 699, 0.0,,,No Hit
     844, 799.977863,  0.1646,  407433.76,  799.0846,  800,   1, -13, -85, 700,38.0,,N1 O15 S1 ,*,C,42,H,10,N,1,O,15,S,1,,,,,,,,,,,,,,,
     845, 654.525289,  0.1645,  432243.36,  653.7945,  654,   1,  -4, 205, 701,12.0,,N1 O2 ,,C,45,H,68,N,1,O,2,,,,,,,,,,,,,,,,,
     846, 655.904474,  0.1645,  424848.32,  655.1721,  656,   1,  -3,-172, 702, 1.0,,N1 O30 S2 ,*,C,7,H,14,N,1,O,30,S,2,,,,,,,,,,,,,,,
     847, 956.329852,  0.1644,  358819.12,  955.2621,  956,   1, -11,-262, 703,32.0,,N1 O8 S2 ,*,C,58,H,54,N,1,O,8,S,2,,,,,,,,,,,,,,,
     848, 712.216882,  0.1644,  562280.00,  711.4217,  712,   1,  -3,-422, 704,29.0,,N1 S3 ,,C,47,H,38,N,1,,,S,3,,,,,,,,,,,,,,,
     849, 868.273215,  0.1643,  244028.45,  867.3037,  868,   1,  -1,-304, 705,11.0,,N1 O24 ,*,C,35,H,50,N,1,O,24,,,,,,,,,,,,,,,,,
     850, 964.349389,  0.1642,  236965.83,  963.2726,  964,   1,  -3,-273, 706,39.0,,N1 O9 ,*,C,63,H,50,N,1,O,9,,,,,,,,,,,,,,,,,
     851, 832.737893,  0.1634,  288930.41,  831.8081,  832,   1,  -8, 192, 707, 0.0,,,No Hit
     852,1042.690663,  0.1631,  308452.86, 1041.5264, 1042,   1,  -8, 473, 708,29.0,,N1 O1 S1 ,*,C,74,H,92,N,1,O,1,S,1,,,,,,,,,,,,,,,
     853, 890.284295,  0.1621,  550993.83,  889.2902,  890,   1,  -7,-290, 709, 0.0,,N1 O31 ,*,C,27,H,56,N,1,O,31,,,,,,,,,,,,,,,,,
     854, 648.555239,  0.1618,  353801.09,  647.8311,  648,   1, -10, 169, 710, 0.0,,,No Hit
     855, 764.418984,  0.1616,  295344.21,  763.5655,  764,   1,  -6, 434, 711, 6.0,,N3 O15 ,,C,35,H,62,N,3,O,15,,,,,,,,,,,,,,,,,
     856, 896.988731,  0.1614,  240640.30,  895.9872,  896,   1, -14,  13, 712,59.0,,O10 ,*,C,61,H,5,,,O,10,,,,,,,,,,,,,,,,,
     857, 953.063593,  0.1613,  159441.83,  951.9994,  952,   1, -14,   0, 713,41.0,,O20 ,*,C,51,H,21,,,O,20,,,,,,,,,,,,,,,,,
     858, 988.743066,  0.1612,  265564.69,  987.6391,  988,   1,  -6, 361, 714,12.0,,N1 O6 S1 ,*,C,62,H,102,N,1,O,6,S,1,,,,,,,,,,,,,,,
     859, 934.313962,  0.1611,  212133.71,  933.2708,  934,   1,  -5,-271, 715,22.0,,N1 O19 ,*,C,47,H,52,N,1,O,19,,,,,,,,,,,,,,,,,
     860,1060.820737,  0.1610,  120675.68, 1059.6363, 1060,   1,  -4, 364, 716,39.0,,O37 ,*,C,39,H,1,,,O,37,,,,,,,,,,,,,,,,,
     861, 880.351529,  0.1610,  432196.97,  879.3686,  880,   1,  -3,-369, 717, 1.0,,N1 O27 ,*,C,31,H,62,N,1,O,27,,,,,,,,,,,,,,,,,
     862, 844.268674,  0.1609,  355702.53,  843.3260,  844,   1, -11,-326, 718, 5.0,,N3 O26 ,,C,28,H,50,N,3,O,26,,,,,,,,,,,,,,,,,
     863,1036.326383,  0.1606,  457747.21, 1035.1693, 1036,   1,  -1,-169, 719,15.0,,N3 O27 ,,C,42,H,58,N,3,O,27,,,,,,,,,,,,,,,,,
     864, 620.210518,  0.1605,  838107.99,  619.5180,  620,   1, -10, 482, 720,12.0,,N3 O8 S2 ,,C,29,H,38,N,3,O,8,S,2,,,,,,,,,,,,,,,
     865,1038.806023,  0.1605,  473449.49, 1037.6461, 1038,   1, -12, 354, 721,27.0,,O38 S2 ,*,C,30,H,7,,,O,38,S,2,,,,,,,,,,,,,,,
     866, 782.004271,  0.1604,  513146.88,  781.1311,  782,   1,  -3,-131, 722,37.0,,N1 O8 S3 ,,C,44,H,16,N,1,O,8,S,3,,,,,,,,,,,,,,,
     867, 956.289493,  0.1603,  298239.48,  955.2217,  956,   1, -11,-222, 723,38.0,,N1 O9 S1 ,*,C,60,H,46,N,1,O,9,S,1,,,,,,,,,,,,,,,
     868, 608.458536,  0.1603,  475220.35,  607.7792,  608,   1,  -8, 221, 724,14.0,,N3 O1 ,,C,41,H,58,N,3,O,1,,,,,,,,,,,,,,,,,
     869, 640.036258,  0.1602,  634929.24,  639.3216,  640,   1,  -5,-322, 725,43.0,,N3 O4 ,*,C,44,H,6,N,3,O,4,,,,,,,,,,,,,,,,,
     870, 890.467498,  0.1601,  254337.47,  889.4732,  890,   1,  -7,-473, 726,21.0,,N1 O8 S1 ,,C,54,H,68,N,1,O,8,S,1,,,,,,,,,,,,,,,
     871, 614.236585,  0.1600,  349617.84,  613.5508,  614,   1,  -2, 449, 727,13.0,,N3 O6 S2 ,,C,31,H,40,N,3,O,6,S,2,,,,,,,,,,,,,,,
     872,1084.408282,  0.1600,  339902.41, 1083.1975, 1084,   1,  -9,-198, 728,30.0,,N3 O17 ,*,C,59,H,62,N,3,O,17,,,,,,,,,,,,,,,,,
     873, 764.438816,  0.1599,  359026.14,  763.5853,  764,   1,  -6, 415, 729,13.0,,N1 O5 S2 ,,C,45,H,66,N,1,O,5,S,2,,,,,,,,,,,,,,,
     874, 799.960357,  0.1597,  460864.52,  799.0672,  800,   1, -13, -67, 730, 0.0,,,No Hit
     875,1064.902986,  0.1596,  243580.66, 1063.7140, 1064,   1, -14, 286, 731,40.0,,O33 ,*,C,44,H,9,,,O,33,,,,,,,,,,,,,,,,,
     876, 193.557276,  0.1594, 1772151.62,  193.3412,  194,   1,  -3,-341, 732, 0.0,,,No Hit
     877, 816.011182,  0.1593,  271666.74,  815.1001,  816,   1, -11,-100, 733,33.0,,N1 O20 ,*,C,39,H,14,N,1,O,20,,,,,,,,,,,,,,,,,
     878, 832.739386,  0.1593,  286255.22,  831.8096,  832,   1,  -8, 190, 734, 0.0,,,No Hit
     879, 998.827343,  0.1592,  390863.56,  997.7121,  998,   1, -10, 288, 735,16.0,,N3 S1 ,,C,68,H,108,N,3,,,S,1,,,,,,,,,,,,,,,
     880, 217.648246,  0.1357, 1483695.28,  217.4052,  218,   1,  -7,-405, 736, 0.0,,,No Hit
     881, 231.663903,  0.1591, 1409939.15,  231.4052,  232,   1,  -7,-405, 736, 0.0,,,No Hit
     882,1064.860058,  0.1590,  326926.95, 1063.6711, 1064,   1, -14, 329, 737,41.0,,N2 O31 S1 ,,C,42,H,5,N,2,O,31,S,1,,,,,,,,,,,,,,,
     883,1046.584222,  0.1589,   68184.96, 1045.4157, 1046,   1,  -5,-416, 738,18.0,,N1 O15 ,*,C,59,H,84,N,1,O,15,,,,,,,,,,,,,,,,,
     884,1042.680684,  0.1588,  367978.81, 1041.5165, 1042,   1,  -8, 483, 739,16.0,,N1 O9 S1 ,*,C,63,H,96,N,1,O,9,S,1,,,,,,,,,,,,,,,
     885, 844.238550,  0.1588,  222854.30,  843.2959,  844,   1, -11,-296, 740,35.0,,N1 O2 S3 ,,C,55,H,42,N,1,O,2,S,3,,,,,,,,,,,,,,,
     886, 956.829879,  0.1585,  125682.98,  955.7615,  956,   1, -10, 238, 741,24.0,,N2 O37 S1 ,*,C,25,H,5,N,2,O,37,S,1,,,,,,,,,,,,,,,
     887, 988.728473,  0.1585,  195709.57,  987.6245,  988,   1,  -6, 375, 742, 8.0,,N1 O9 S1 ,*,C,58,H,102,N,1,O,9,S,1,,,,,,,,,,,,,,,
     888, 880.364141,  0.1585,  347830.29,  879.3812,  880,   1,  -3,-381, 743,36.0,,N1 O6 ,*,C,60,H,50,N,1,O,6,,,,,,,,,,,,,,,,,
     889, 890.263364,  0.1585,  473653.85,  889.2693,  890,   1,  -7,-269, 744, 5.0,,N1 O29 ,*,C,30,H,52,N,1,O,29,,,,,,,,,,,,,,,,,
     890, 794.304912,  0.1584,  253067.22,  793.4180,  794,   1,  -5,-418, 745, 5.0,,N3 O22 ,,C,29,H,52,N,3,O,22,,,,,,,,,,,,,,,,,
     891, 934.305875,  0.1584,  406991.23,  933.2627,  934,   1,  -5,-263, 746,35.0,,N1 O9 S1 ,,C,58,H,48,N,1,O,9,S,1,,,,,,,,,,,,,,,
     892, 934.311692,  0.1581,  578889.68,  933.2685,  934,   1,  -5,-269, 747,53.0,,N1 O1 ,*,C,72,H,40,N,1,O,1,,,,,,,,,,,,,,,,,
     893, 856.087818,  0.1581,  401578.18,  855.1320,  856,   1, -13,-132, 748,64.0,,N3 ,*,C,67,H,10,N,3,,,,,,,,,,,,,,,,,,,
     894,1076.632808,  0.1580,  426467.92, 1075.4307, 1076,   1,  -3,-431, 749,16.0,,N1 O10 S2 ,,C,62,H,94,N,1,O,10,S,2,,,,,,,,,,,,,,,
     895, 910.381142,  0.1579,  166588.33,  909.3647,  910,   1,  -1,-365, 750,27.0,,N1 O12 ,*,C,54,H,56,N,1,O,12,,,,,,,,,,,,,,,,,
     896,1056.258276,  0.1579,  387160.68, 1055.0789, 1056,   1,  -9, -79, 751,59.0,,N1 O3 S1 ,*,C,77,H,38,N,1,O,3,S,1,,,,,,,,,,,,,,,
     897, 726.145169,  0.1578,  563728.22,  725.3344,  726,   1,  -3,-334, 752,27.0,,N1 O5 S3 ,,C,42,H,32,N,1,O,5,S,3,,,,,,,,,,,,,,,
     898,1028.896449,  0.1577,  349737.58, 1027.7476, 1028,   1,  -8, 252, 753,37.0,,N2 O30 S1 ,,C,40,H,9,N,2,O,30,S,1,,,,,,,,,,,,,,,
     899, 880.812413,  0.1577,  356073.97,  879.8289,  880,   1,  -2, 171, 754, 6.0,,N1 O4 ,*,C,58,H,106,N,1,O,4,,,,,,,,,,,,,,,,,
     900, 968.204941,  0.1576,  143734.04,  967.1239,  968,   1, -13,-124, 755,59.0,,N1 O1 S1 ,*,C,73,H,30,N,1,O,1,S,1,,,,,,,,,,,,,,,
     901, 920.238974,  0.1574,  322732.77,  919.2115,  920,   1,  -5,-212, 756,31.0,,N1 O8 S3 ,,C,53,H,46,N,1,O,8,S,3,,,,,,,,,,,,,,,
     902, 606.599401,  0.1574,  247410.89,  605.9221,  606,   1, -10,  78, 757, 0.0,,,No Hit
     903, 804.834003,  0.1571,  154648.93,  803.9354,  804,   1,  -8,  65, 758,23.0,,N2 O30 S1 ,,C,22,H,1,N,2,O,30,S,1,,,,,,,,,,,,,,,
     904, 810.174994,  0.1570,  158925.47,  809.2704,  810,   1,  -3,-270, 759, 4.0,,N3 O29 ,,C,22,H,40,N,3,O,29,,,,,,,,,,,,,,,,,
     905, 988.752417,  0.1569,  148737.73,  987.6484,  988,   1,  -6, 351, 760,16.0,,N3 S2 ,,C,65,H,102,N,3,,,S,2,,,,,,,,,,,,,,,
     906, 934.316538,  0.1567,  210677.75,  933.2733,  934,   1,  -5,-273, 761,35.0,,N3 O8 S1 ,*,C,57,H,48,N,3,O,8,S,1,,,,,,,,,,,,,,,
     907, 900.270861,  0.1567,  502420.83,  899.2657,  900,   1, -11,-266, 762, 0.0,,,No Hit
     908, 798.260254,  0.1566,  562201.07,  797.3690,  798,   1,  -1,-369, 763, 0.0,,,No Hit
     909, 938.417023,  0.1509,  176996.70,  937.3692,  938,   1,  -1,-369, 763, 0.0,,,No Hit
     910, 942.053943,  0.1565,  125974.30,  941.0021,  942,   1, -11,  -2, 764,36.0,,N3 O22 ,*,C,44,H,20,N,3,O,22,,,,,,,,,,,,,,,,,
     911, 812.854520,  0.1563,  340343.08,  811.9469,  812,   1, -14,  53, 765,11.0,,O37 S1 ,*,C,15,H,9,,,O,37,S,1,,,,,,,,,,,,,,,
     912, 884.045183,  0.1563,  540394.00,  883.0581,  884,   1, -13, -58, 766,13.0,,N3 O33 ,*,C,24,H,26,N,3,O,33,,,,,,,,,,,,,,,,,
     913, 794.768684,  0.1562,  219977.55,  793.8813,  794,   1,  -4, 119, 767, 9.0,,N2 O35 S3 ,,C,9,H,3,N,2,O,35,S,3,,,,,,,,,,,,,,,
     914,1047.143028,  0.1561,  436356.75, 1045.9738, 1046,   1,  -4,  26, 768,30.0,,N2 O27 ,*,C,46,H,35,N,2,O,27,,,,,,,,,,,,,,,,,
     915,1074.239225,  0.1556,  285856.21, 1073.0398, 1074,   1,  -5, -40, 769,37.0,,N3 O17 S1 ,*,C,57,H,44,N,3,O,17,S,1,,,,,,,,,,,,,,,
     916, 802.142565,  0.1554,  381613.37,  801.2469,  802,   1, -11,-247, 770,28.0,,N1 O11 S2 ,,C,43,H,32,N,1,O,11,S,2,,,,,,,,,,,,,,,
     917,1086.285694,  0.1553,  118643.30, 1085.0728, 1086,   1,  -7, -73, 771,59.0,,N1 O6 ,*,C,78,H,40,N,1,O,6,,,,,,,,,,,,,,,,,
     918, 964.367922,  0.1552,  228178.93,  963.2912,  964,   1,  -3,-291, 772,38.0,,N1 O6 S1 ,*,C,64,H,54,N,1,O,6,S,1,,,,,,,,,,,,,,,
     919, 736.720551,  0.1551,  297706.09,  735.8980,  736,   1,  -6, 102, 773, 0.0,,,No Hit
     920, 820.242911,  0.1549,  218893.82,  819.3271,  820,   1,  -7,-327, 774,25.0,,N1 O12 S1 ,*,C,45,H,42,N,1,O,12,S,1,,,,,,,,,,,,,,,
     921,1064.886229,  0.1549,  133646.72, 1063.6972, 1064,   1, -14, 303, 775, 9.0,,N1 O8 ,*,C,67,H,118,N,1,O,8,,,,,,,,,,,,,,,,,
     922,1046.600640,  0.1547,  218914.84, 1045.4321, 1046,   1,  -5,-432, 776,21.0,,N1 O7 S2 ,*,C,64,H,88,N,1,O,7,S,2,,,,,,,,,,,,,,,
     923, 832.481104,  0.1539,  505752.71,  831.5516,  832,   1,  -8, 448, 777, 7.0,,N3 O15 ,,C,40,H,70,N,3,O,15,,,,,,,,,,,,,,,,,
     924,1038.288411,  0.1539,  244774.18, 1037.1291, 1038,   1, -13,-129, 778,24.0,,N1 O24 ,*,C,49,H,52,N,1,O,24,,,,,,,,,,,,,,,,,
     925, 858.742372,  0.1533,  489764.61,  857.7835,  858,   1, -10, 216, 779, 0.0,,,No Hit
     926, 988.791548,  0.1532,  248289.40,  987.6875,  988,   1,  -6, 312, 780,20.0,,N1 O2 ,,C,70,H,102,N,1,O,2,,,,,,,,,,,,,,,,,
     927, 844.061378,  0.1532,  445184.95,  843.1189,  844,   1, -11,-119, 781,59.0,,N1 O4 ,*,C,63,H,10,N,1,O,4,,,,,,,,,,,,,,,,,
     928, 743.851857,  0.1531,  270409.92,  743.0213,  744,   1, -13, -21, 782,26.0,,N1 O22 S2 ,,C,26,H,2,N,1,O,22,S,2,,,,,,,,,,,,,,,
     929, 167.721036,  0.1530, 2349347.75,  167.5338,  168,   1, -14, 466, 783, 0.0,,,No Hit
     930, 956.318696,  0.1530,  183544.47,  955.2509,  956,   1, -11,-251, 784,38.0,,N3 O10 ,*,C,59,H,46,N,3,O,10,,,,,,,,,,,,,,,,,
     931, 880.907369,  0.1526,  238665.11,  879.9238,  880,   1,  -2,  76, 785,44.0,,N2 O21 ,*,C,43,H,1,N,2,O,21,,,,,,,,,,,,,,,,,
     932,1056.236339,  0.1525,  154656.53, 1055.0570, 1056,   1,  -9, -57, 786,64.0,,N1 O1 S1 ,*,C,80,H,34,N,1,O,1,S,1,,,,,,,,,,,,,,,
     933, 810.133992,  0.1525,  534447.51,  809.2294,  810,   1,  -3,-230, 787,40.0,,N3 O7 S1 ,*,C,50,H,24,N,3,O,7,S,1,,,,,,,,,,,,,,,
     934, 884.014477,  0.1523,  501299.21,  883.0274,  884,   1, -13, -28, 788,71.0,,N1 O1 ,*,C,71,H,2,N,1,O,1,,,,,,,,,,,,,,,,,
     935, 794.775821,  0.1522,  293911.01,  793.8884,  794,   1,  -4, 112, 789, 5.0,,N1 O2 ,,C,54,H,100,N,1,O,2,,,,,,,,,,,,,,,,,
     936, 750.350683,  0.1522,  464348.75,  749.5129,  750,   1,  -6, 487, 790,15.0,,N1 O7 S2 ,,C,42,H,56,N,1,O,7,S,2,,,,,,,,,,,,,,,
     937, 904.287147,  0.1522,  518756.44,  903.2775,  904,   1,  -7,-278, 791,36.0,,N3 O10 ,*,C,55,H,42,N,3,O,10,,,,,,,,,,,,,,,,,
     938, 868.255137,  0.1521,  182254.48,  867.2857,  868,   1,  -1,-286, 792,38.0,,N1 O9 ,*,C,56,H,38,N,1,O,9,,,,,,,,,,,,,,,,,
     939, 956.803093,  0.1519,  536419.03,  955.7348,  956,   1, -10, 265, 793, 0.0,,,No Hit
     940, 914.148143,  0.1518,  358394.73,  913.1274,  914,   1, -11,-128, 794,19.0,,N1 O27 ,*,C,36,H,36,N,1,O,27,,,,,,,,,,,,,,,,,
     941, 856.122827,  0.1518,  284376.68,  855.1669,  856,   1, -13,-167, 795,49.0,,N1 O5 S1 ,,C,59,H,22,N,1,O,5,S,1,,,,,,,,,,,,,,,
     942, 726.147504,  0.1514,  304455.14,  725.3367,  726,   1,  -3,-337, 796,23.0,,N1 O10 S2 ,,C,38,H,32,N,1,O,10,S,2,,,,,,,,,,,,,,,
     943, 804.811774,  0.1512,  404376.44,  803.9132,  804,   1,  -8,  87, 797, 0.0,,,No Hit
     944, 726.172585,  0.1510,  247254.02,  725.3618,  726,   1,  -3,-362, 798,28.0,,N3 O11 ,*,C,40,H,28,N,3,O,11,,,,,,,,,,,,,,,,,
     945,1047.130423,  0.1509,  288001.17, 1045.9612, 1046,   1,  -4,  39, 799, 3.0,,N1 ,*,C,74,H,144,N,1,,,,,,,,,,,,,,,,,,,
     946, 810.139273,  0.1509,  619327.49,  809.2347,  810,   1,  -3,-235, 800, 5.0,,N3 O30 ,*,C,21,H,36,N,3,O,30,,,,,,,,,,,,,,,,,
     947, 934.804017,  0.1504,  337053.37,  933.7603,  934,   1,  -4, 240, 801, 0.0,,N3 O10 ,*,C,52,H,108,N,3,O,10,,,,,,,,,,,,,,,,,
     948, 762.485953,  0.1504,  170065.46,  761.6346,  762,   1,  -8, 365, 802, 0.0,,N1 O16 ,*,C,35,H,72,N,1,O,16,,,,,,,,,,,,,,,,,
     949, 832.259457,  0.1502,  270564.95,  831.3302,  832,   1,  -9,-330, 803,29.0,,N1 O4 S3 ,,C,51,H,46,N,1,O,4,S,3,,,,,,,,,,,,,,,
     950, 868.282214,  0.1500,  357104.47,  867.3127,  868,   1,  -1,-313, 804,24.0,,N1 O16 ,*,C,46,H,46,N,1,O,16,,,,,,,,,,,,,,,,,
     951, 980.782504,  0.1499,  328727.04,  979.6874,  980,   1, -14, 312, 805,27.0,,O39 S1 ,*,C,27,H,1,,,O,39,S,1,,,,,,,,,,,,,,,
     952, 772.105836,  0.1493,  439605.52,  771.2437,  772,   1, -13,-244, 806,12.0,,N1 O26 ,*,C,26,H,30,N,1,O,26,,,,,,,,,,,,,,,,,
     953, 866.244763,  0.1491,  522614.85,  865.2776,  866,   1,  -3,-278, 807,48.0,,N3 O3 ,*,C,62,H,32,N,3,O,3,,,,,,,,,,,,,,,,,
     954, 876.249135,  0.1489,  621296.05,  875.2708,  876,   1,  -7,-271, 808,30.0,,N1 O6 S3 ,,C,52,H,46,N,1,O,6,S,3,,,,,,,,,,,,,,,
     955, 794.325579,  0.1488,  336503.26,  793.4387,  794,   1,  -5,-439, 809, 0.0,,N3 O24 ,,C,26,H,56,N,3,O,24,,,,,,,,,,,,,,,,,
     956, 874.016238,  0.1486,  259333.39,  873.0404,  874,   1,  -9, -40, 810,52.0,,N3 O11 ,*,C,54,H,8,N,3,O,11,,,,,,,,,,,,,,,,,
     957, 792.195727,  0.1483,  364433.70,  791.3112,  792,   1,  -7,-311, 811,12.0,,N3 O17 S2 ,,C,31,H,42,N,3,O,17,S,2,,,,,,,,,,,,,,,
     958, 784.099914,  0.1482,  591288.74,  783.2244,  784,   1,  -1,-225, 812,22.0,,N1 O21 ,*,C,34,H,26,N,1,O,21,,,,,,,,,,,,,,,,,
     959, 762.480259,  0.1480,  711200.38,  761.6289,  762,   1,  -8, 371, 813, 0.0,,,No Hit
     960, 910.410607,  0.1480,  146765.73,  909.3941,  910,   1,  -1,-394, 814,26.0,,N3 O8 S1 ,,C,54,H,60,N,3,O,8,S,1,,,,,,,,,,,,,,,
     961, 864.245725,  0.1479,  621419.23,  863.2807,  864,   1,  -5,-281, 815,34.0,,N1 O6 S2 ,*,C,54,H,42,N,1,O,6,S,2,,,,,,,,,,,,,,,
     962, 738.239228,  0.1479,  570499.23,  737.4149,  738,   1,  -5,-415, 816, 0.0,,,No Hit
     963, 762.473496,  0.1478,  587298.48,  761.6222,  762,   1,  -8, 378, 817, 9.0,,N3 O8 S1 ,,C,41,H,68,N,3,O,8,S,1,,,,,,,,,,,,,,,
     964, 764.444630,  0.1475,  489745.75,  763.5911,  764,   1,  -6, 409, 818, 4.0,,N1 O10 S2 ,,C,38,H,70,N,1,O,10,S,2,,,,,,,,,,,,,,,
     965, 948.831293,  0.1475,  196341.89,  947.7719,  948,   1,  -4, 228, 819,39.0,,N2 O25 S2 ,*,C,38,H,1,N,2,O,25,S,2,,,,,,,,,,,,,,,
     966, 890.471672,  0.1474,  311870.95,  889.4774,  890,   1,  -7,-478, 820, 4.0,,N3 O20 ,,C,38,H,72,N,3,O,20,,,,,,,,,,,,,,,,,
     967, 870.190785,  0.1472,  461024.92,  869.2192,  870,   1, -13,-219, 821,13.0,,N3 O26 ,,C,31,H,40,N,3,O,26,,,,,,,,,,,,,,,,,
     968, 754.672722,  0.1471,  413541.00,  753.8301,  754,   1,  -2, 170, 822, 0.0,,,No Hit
     969, 896.063221,  0.1470,  120363.18,  895.0627,  896,   1,  -1, -63, 823,52.0,,N1 O5 S2 ,*,C,60,H,18,N,1,O,5,S,2,,,,,,,,,,,,,,,
     970, 884.025684,  0.1466,  229143.50,  883.0386,  884,   1, -13, -39, 824,53.0,,N1 O11 ,*,C,57,H,10,N,1,O,11,,,,,,,,,,,,,,,,,
     971, 906.490620,  0.1464,  168152.12,  905.4785,  906,   1,  -5,-479, 825,21.0,,N3 O10 ,,C,53,H,68,N,3,O,10,,,,,,,,,,,,,,,,,
     972, 782.002504,  0.1464,  507793.58,  781.1294,  782,   1,  -3,-129, 826,12.0,,N1 O31 ,*,C,21,H,20,N,1,O,31,,,,,,,,,,,,,,,,,
     973, 799.948672,  0.1463,  345229.90,  799.0555,  800,   1, -13, -56, 827,17.0,,N3 O28 S1 ,,C,22,H,14,N,3,O,28,S,1,,,,,,,,,,,,,,,
     974, 782.014269,  0.1462,  309159.61,  781.1411,  782,   1,  -3,-141, 828,11.0,,N3 O25 S2 ,,C,21,H,24,N,3,O,25,S,2,,,,,,,,,,,,,,,
     975, 868.296451,  0.1461,  390441.90,  867.3270,  868,   1,  -1,-327, 829,19.0,,N3 O15 S1 ,,C,42,H,50,N,3,O,15,S,1,,,,,,,,,,,,,,,
     976, 169.701863,  0.1458,  460446.49,  169.5124,  170,   1, -12, 488, 830, 0.0,,,No Hit
     977, 856.098876,  0.1455,  191009.65,  855.1430,  856,   1, -13,-143, 831,31.0,,N1 O11 S3 ,,C,45,H,30,N,1,O,11,S,3,,,,,,,,,,,,,,,
     978, 772.131910,  0.1455,  218969.72,  771.2698,  772,   1, -13,-270, 832,28.0,,N1 O10 S2 ,,C,42,H,30,N,1,O,10,S,2,,,,,,,,,,,,,,,
     979, 250.050964,  0.1437, 1569461.80,  249.7718,  250,   1,  -2, 228, 833,12.0,,N1 O3 ,,C,15,H,8,N,1,O,3,,,,,,,,,,,,,,,,,
     980, 772.112205,  0.1431,  536001.04,  771.2501,  772,   1, -13,-250, 834, 3.0,,N1 O31 ,*,C,19,H,34,N,1,O,31,,,,,,,,,,,,,,,,,
     981, 784.128689,  0.1430,  213141.61,  783.2532,  784,   1,  -1,-253, 835, 0.0,,,No Hit
     982, 772.125456,  0.1430,  197476.05,  771.2633,  772,   1, -13,-263, 836,37.0,,N1 O5 S2 ,*,C,49,H,26,N,1,O,5,S,2,,,,,,,,,,,,,,,
     983, 794.306025,  0.1428,  241512.37,  793.4191,  794,   1,  -5,-419, 837,13.0,,N1 O15 S1 ,*,C,38,H,52,N,1,O,15,S,1,,,,,,,,,,,,,,,
     984, 208.069640,  0.1418, 1988389.20,  207.8373,  208,   1,  -2, 163, 838, 0.0,,,No Hit
     985, 774.566057,  0.1415,  397215.63,  773.7012,  774,   1, -10, 299, 839, 0.0,,,No Hit
     986, 772.133687,  0.1405,  215506.41,  771.2716,  772,   1, -13,-272, 840,42.0,,N3 O4 S1 ,*,C,51,H,22,N,3,O,4,S,1,,,,,,,,,,,,,,,
     987, 169.695205,  0.1404, 1889822.17,  169.5057,  170,   1, -12, 494, 841, 0.0,,,No Hit
     988, 792.164705,  0.1403,  518778.75,  791.2802,  792,   1,  -7,-280, 842, 5.0,,N3 O28 ,,C,22,H,38,N,3,O,28,,,,,,,,,,,,,,,,,
     989, 201.562361,  0.1402, 2206886.66,  201.3373,  202,   1,  -9,-337, 843, 0.0,,,No Hit
     990, 218.187907,  0.1397,  806245.43,  217.9443,  218,   1,  -6,  56, 844, 0.0,,,No Hit
     991, 251.581855,  0.1389, 1498069.14,  251.3010,  252,   1,  -1,-301, 845, 0.0,,,No Hit
     992, 250.043829,  0.1380, 1519896.14,  249.7646,  250,   1,  -2, 235, 846, 0.0,,,No Hit
     993, 161.549257,  0.1366, 2453170.12,  161.3689,  162,   1,  -7,-369, 847, 0.0,,,No Hit
     994, 219.573593,  0.1336, 1902235.43,  219.3284,  220,   1,  -5,-328, 848, 0.0,,,No Hit
     995, 204.038359,  0.1141, 2033519.33,  203.8105,  204,   1,  -6, 189, 849, 0.0,,,No Hit
     996, 218.054001,  0.1300, 1812243.03,  217.8105,  218,   1,  -6, 189, 849, 0.0,,,No Hit
     997, 251.580263,  0.1285, 1379349.67,  251.2994,  252,   1,  -1,-299, 850, 0.0,,,No Hit
     998, 169.701238,  0.1255, 2666604.28,  169.5118,  170,   1, -12, 488, 851, 0.0,,,No Hit
     999, 218.033204,  0.1234, 1637532.99,  217.7898,  218,   1,  -6, 210, 852, 0.0,,,No Hit
    1000, 201.562905,  0.1223, 1591278.21,  201.3378,  202,   1,  -9,-338, 853, 0.0,,,No Hit
    1001, 167.720703,  0.1218, 2417784.22,  167.5334,  168,   1, -14, 467, 854, 0.0,,,No Hit
    1002, 241.573890,  0.1205, 1526386.31,  241.3042,  242,   1, -11,-304, 855, 0.0,,,No Hit
    1003, 147.804485,  0.1176, 1800324.41,  147.6395,  148,   1,  -6, 361, 856, 0.0,,,No Hit
    1004, 169.701683,  0.1154,  433426.14,  169.5122,  170,   1, -12, 488, 857, 0.0,,,No Hit
    1005, 198.025609,  0.1135, 1625375.63,  197.8045,  198,   1, -12, 195, 858, 1.0,,N1 O8 ,,C,4,H,8,N,1,O,8,,,,,,,,,,,,,,,,,
    1006, 248.064558,  0.1130, 1668095.25,  247.7876,  248,   1,  -4, 212, 859, 0.0,,,No Hit
    1007, 169.701333,  0.1128, 2364412.08,  169.5119,  170,   1, -12, 488, 860, 0.0,,,No Hit
    1008, 169.693914,  0.1115, 1808354.15,  169.5044,  170,   1, -12, 496, 861, 0.0,,,No Hit
    1009, 183.277431,  0.1111, 1073208.40,  183.0728,  184,   1, -13, -73, 862, 0.0,,,No Hit
    1010, 184.001800,  0.1059, 2008266.61,  183.7964,  184,   1, -12, 204, 863, 0.0,,,No Hit
    1011, 200.043442,  0.1052, 2213196.16,  199.8201,  200,   1, -10, 180, 864, 0.0,,,No Hit
    1012, 183.277972,  0.1049,  563611.23,  183.0733,  184,   1, -13, -73, 865, 0.0,,,No Hit
    1013, 190.059091,  0.1044, 2097478.08,  189.8469,  190,   1,  -6, 153, 866, 0.0,,,No Hit
    1014, 141.632437,  0.1031, 2745364.78,  141.4743,  142,   1, -13,-474, 867, 0.0,,,No Hit
    1015, 183.277748,  0.1024,  560486.10,  183.0731,  184,   1, -13, -73, 868, 0.0,,,No Hit
    1016, 169.695368,  0.1023, 1264401.08,  169.5059,  170,   1, -12, 494, 869, 0.0,,,No Hit
    1017, 169.701590,  0.1015,  423196.54,  169.5121,  170,   1, -12, 488, 870, 0.0,,,No Hit
    1018, 169.695739,  0.1007, 2604392.38,  169.5063,  170,   1, -12, 494, 871, 0.0,,,No Hit
    1019, 169.701429,  0.0961, 1295549.21,  169.5119,  170,   1, -12, 488, 872, 0.0,,,No Hit
    1020, 169.701109,  0.0935, 1225909.37,  169.5116,  170,   1, -12, 488, 873, 0.0,,,No Hit
    1021, 147.804802,  0.0877, 2678507.50,  147.6398,  148,   1,  -6, 360, 874, 0.0,,,No Hit
    1022, 147.800596,  0.0826, 2320768.54,  147.6356,  148,   1,  -6, 364, 875, 0.0,,,No Hit
    1023, 147.804113,  0.0826, 2064607.43,  147.6391,  148,   1,  -6, 361, 876, 0.0,,,No Hit
    1024, 147.799373,  0.0824,  822979.52,  147.6343,  148,   1,  -6, 366, 877, 0.0,,,No Hit
    1025, 147.800281,  0.0820, 1588986.88,  147.6353,  148,   1,  -6, 365, 878, 0.0,,,No Hit
    1026, 147.755465,  0.0767, 2931863.21,  147.5905,  148,   1,  -6, 409, 879, 0.0,,,No Hit
    1027, 147.804953,  0.0763, 1193933.97,  147.6399,  148,   1,  -6, 360, 880, 0.0,,,No Hit
    1028, 147.804685,  0.0737, 1118034.53,  147.6397,  148,   1,  -6, 360, 881, 0.0,,,No Hit
     ********************************************************************************************************************
     ********************************************************************************************************************
       1, 253.056503,  0.8102, 1672315.61,  252.7740,  253,   0, -13, 226,   0, 2.0,,O9 ,,C,8,H,13,,,O,9,,,,,,,,,,,,,,,,,
       2, 267.072150,  4.4755, 1593660.30,  266.7740,  267,   0, -13, 226,   0, 2.0,,O9 ,,C,9,H,15,,,O,9,,,,,,,,,,,,,,,,,
       3, 281.087802,  2.7475, 1497556.56,  280.7740,  281,   0, -13, 226,   0, 2.0,,O9 ,,C,10,H,17,,,O,9,,,,,,,,,,,,,,,,,
       4, 295.103445,101.2946, 1490454.02,  294.7740,  295,   0, -13, 226,   0, 2.0,,O9 ,,C,11,H,19,,,O,9,,,,,,,,,,,,,,,,,
       5, 351.166042,  0.3026, 1158967.10,  350.7740,  351,   0, -13, 226,   0, 2.0,,O9 ,,C,15,H,27,,,O,9,,,,,,,,,,,,,,,,,
       6, 463.291264,  1.8267,  879493.45,  462.7740,  463,   0, -13, 226,   0, 2.0,,O9 ,,C,23,H,43,,,O,9,,,,,,,,,,,,,,,,,
       7, 477.306928,  0.5201,  856808.72,  476.7740,  477,   0, -13, 226,   0, 2.0,,O9 ,,C,24,H,45,,,O,9,,,,,,,,,,,,,,,,,
       8, 491.322573,  2.0476,  819118.14,  490.7740,  491,   0, -13, 226,   0, 2.0,,O9 ,,C,25,H,47,,,O,9,,,,,,,,,,,,,,,,,
       9, 505.338210,  0.2856,  708424.75,  504.7740,  505,   0, -13, 226,   0, 2.0,,O9 ,,C,26,H,49,,,O,9,,,,,,,,,,,,,,,,,
      10, 995.886164,  0.3178,  394470.81,  994.7743,  995,   0, -13, 226,   0, 2.0,,O9 ,,C,61,H,119,,,O,9,,,,,,,,,,,,,,,,,
      11, 327.093274,  2.3183, 1281339.11,  326.7281,  327,   0,  -9, 272,   1, 2.0,,O11 ,,C,11,H,19,,,O,11,,,,,,,,,,,,,,,,,
      12, 341.108923, 93.6425, 1203201.29,  340.7281,  341,   0,  -9, 272,   1, 2.0,,O11 ,,C,12,H,21,,,O,11,,,,,,,,,,,,,,,,,
      13, 509.296756,  0.2981,  622590.26,  508.7282,  509,   0,  -9, 272,   1, 2.0,,O11 ,,C,24,H,45,,,O,11,,,,,,,,,,,,,,,,,
      14, 295.067068,  0.3453, 1457630.22,  294.7376,  295,   0, -13, 262,   2, 3.0,,O10 ,,C,10,H,15,,,O,10,,,,,,,,,,,,,,,,,
      15, 309.082714,  2.1134, 1361895.07,  308.7376,  309,   0, -13, 262,   2, 3.0,,O10 ,,C,11,H,17,,,O,10,,,,,,,,,,,,,,,,,
      16, 323.098365, 76.6862, 1276736.89,  322.7376,  323,   0, -13, 262,   2, 3.0,,O10 ,,C,12,H,19,,,O,10,,,,,,,,,,,,,,,,,
      17, 351.129647,  0.5495, 1178910.87,  350.7376,  351,   0, -13, 262,   2, 3.0,,O10 ,,C,14,H,23,,,O,10,,,,,,,,,,,,,,,,,
      18, 533.333147,  0.9823,  730606.01,  532.7377,  533,   0, -13, 262,   2, 3.0,,O10 ,,C,27,H,49,,,O,10,,,,,,,,,,,,,,,,,
      19, 561.364465,  1.0357,  724112.50,  560.7377,  561,   0, -13, 262,   2, 3.0,,O10 ,,C,29,H,53,,,O,10,,,,,,,,,,,,,,,,,
      20, 415.109309,  2.0915, 1006603.72,  414.6459,  415,   0,  -5, 354,   3, 3.0,,O14 ,,C,14,H,23,,,O,14,,,,,,,,,,,,,,,,,
      21, 429.124957,  9.0138,  971883.01,  428.6459,  429,   0,  -5, 354,   3, 3.0,,O14 ,,C,15,H,25,,,O,14,,,,,,,,,,,,,,,,,
      22, 443.140609,  4.2891,  936105.92,  442.6459,  443,   0,  -5, 354,   3, 3.0,,O14 ,,C,16,H,27,,,O,14,,,,,,,,,,,,,,,,,
      23, 457.156255, 58.4214,  894961.60,  456.6459,  457,   0,  -5, 354,   3, 3.0,,O14 ,,C,17,H,29,,,O,14,,,,,,,,,,,,,,,,,
      24, 625.344179,  0.2782,  638198.31,  624.6460,  625,   0,  -5, 354,   3, 3.0,,O14 ,,C,29,H,53,,,O,14,,,,,,,,,,,,,,,,,
      25, 653.375441,  0.2971,  655808.25,  652.6460,  653,   0,  -5, 354,   3, 3.0,,O14 ,,C,31,H,57,,,O,14,,,,,,,,,,,,,,,,,
      26, 225.061598, 11.6140, 1798711.97,  224.8103,  225,   0, -13, 190,   4, 1.0,,O8 ,,C,7,H,13,,,O,8,,,,,,,,,,,,,,,,,
      27, 239.077244, 11.6259, 1707708.93,  238.8103,  239,   0, -13, 190,   4, 1.0,,O8 ,,C,8,H,15,,,O,8,,,,,,,,,,,,,,,,,
      28, 295.139834,  0.2273, 1390037.62,  294.8103,  295,   0, -13, 190,   4, 1.0,,O8 ,,C,12,H,23,,,O,8,,,,,,,,,,,,,,,,,
      29, 323.171128,  0.6751, 1288833.20,  322.8103,  323,   0, -13, 190,   4, 1.0,,O8 ,,C,14,H,27,,,O,8,,,,,,,,,,,,,,,,,
      30, 337.186771,  0.9605, 1261630.72,  336.8103,  337,   0, -13, 190,   4, 1.0,,O8 ,,C,15,H,29,,,O,8,,,,,,,,,,,,,,,,,
      31, 351.202411,  0.2741, 1227593.71,  350.8103,  351,   0, -13, 190,   4, 1.0,,O8 ,,C,16,H,31,,,O,8,,,,,,,,,,,,,,,,,
      32, 407.265035,  0.5829, 1016844.63,  406.8103,  407,   0, -13, 190,   4, 1.0,,O8 ,,C,20,H,39,,,O,8,,,,,,,,,,,,,,,,,
      33, 421.280708,  0.3237,  952936.95,  420.8104,  421,   0, -13, 190,   4, 1.0,,O8 ,,C,21,H,41,,,O,8,,,,,,,,,,,,,,,,,
      34, 435.296343, 52.8435,  960323.40,  434.8104,  435,   0, -13, 190,   4, 1.0,,O8 ,,C,22,H,43,,,O,8,,,,,,,,,,,,,,,,,
      35, 449.312002,  0.4581,  922615.98,  448.8104,  449,   0, -13, 190,   4, 1.0,,O8 ,,C,23,H,45,,,O,8,,,,,,,,,,,,,,,,,
      36, 463.327647, 56.1187,  890556.71,  462.8104,  463,   0, -13, 190,   4, 1.0,,O8 ,,C,24,H,47,,,O,8,,,,,,,,,,,,,,,,,
      37, 491.358959,  0.4600,  834157.79,  490.8104,  491,   0, -13, 190,   4, 1.0,,O8 ,,C,26,H,51,,,O,8,,,,,,,,,,,,,,,,,
      38, 387.114395, 54.7563, 1043489.19,  386.6822,  387,   0,  -5, 318,   5, 2.0,,O13 ,,C,13,H,23,,,O,13,,,,,,,,,,,,,,,,,
      39, 485.223929,  0.2758,  845561.32,  484.6822,  485,   0,  -5, 318,   5, 2.0,,O13 ,,C,20,H,37,,,O,13,,,,,,,,,,,,,,,,,
      40, 597.349227,  7.3616,  675004.18,  596.6823,  597,   0,  -5, 318,   5, 2.0,,O13 ,,C,28,H,53,,,O,13,,,,,,,,,,,,,,,,,
      41, 625.380547,  6.6685,  651706.86,  624.6823,  625,   0,  -5, 318,   5, 2.0,,O13 ,,C,30,H,57,,,O,13,,,,,,,,,,,,,,,,,
      42, 489.146096,  1.1270,  819976.86,  488.6000,  489,   0,  -1, 400,   6, 3.0,,O16 ,,C,17,H,29,,,O,16,,,,,,,,,,,,,,,,,
      43, 503.161746, 48.8492,  800345.86,  502.6000,  503,   0,  -1, 400,   6, 3.0,,O16 ,,C,18,H,31,,,O,16,,,,,,,,,,,,,,,,,
      44, 401.130052, 38.3020, 1037154.74,  400.6822,  401,   0,  -5, 318,   7, 2.0,,O13 ,,C,14,H,25,,,O,13,,,,,,,,,,,,,,,,,
      45, 361.077611,  0.7722, 1112999.88,  360.6745,  361,   0,  -3, 326,   8, 6.0,,O11 ,,C,14,H,17,,,O,11,,,,,,,,,,,,,,,,,
      46, 375.093258,  2.8776, 1083326.32,  374.6745,  375,   0,  -3, 326,   8, 6.0,,O11 ,,C,15,H,19,,,O,11,,,,,,,,,,,,,,,,,
      47, 389.108907,  1.6168, 1051430.25,  388.6745,  389,   0,  -3, 326,   8, 6.0,,O11 ,,C,16,H,21,,,O,11,,,,,,,,,,,,,,,,,
      48, 403.124564, 37.7156, 1029135.66,  402.6745,  403,   0,  -3, 326,   8, 6.0,,O11 ,,C,17,H,23,,,O,11,,,,,,,,,,,,,,,,,
      49, 571.312426,  0.2240,  688135.64,  570.6746,  571,   0,  -3, 325,   8, 6.0,,O11 ,,C,29,H,47,,,O,11,,,,,,,,,,,,,,,,,
      50, 599.343709,  0.2210,  652582.09,  598.6746,  599,   0,  -3, 325,   8, 6.0,,O11 ,,C,31,H,51,,,O,11,,,,,,,,,,,,,,,,,
      51, 397.098744,  1.1613, 1042226.85,  396.6554,  397,   0,  -9, 345,   9, 4.0,,O13 ,,C,14,H,21,,,O,13,,,,,,,,,,,,,,,,,
      52, 411.114395,  4.4116, 1028155.65,  410.6554,  411,   0,  -9, 345,   9, 4.0,,O13 ,,C,15,H,23,,,O,13,,,,,,,,,,,,,,,,,
      53, 425.130044,  2.1985,  976299.16,  424.6554,  425,   0,  -9, 345,   9, 4.0,,O13 ,,C,16,H,25,,,O,13,,,,,,,,,,,,,,,,,
      54, 439.145691, 32.5955,  945956.88,  438.6554,  439,   0,  -9, 345,   9, 4.0,,O13 ,,C,17,H,27,,,O,13,,,,,,,,,,,,,,,,,
      55, 635.364850,  0.1816,  403119.93,  634.6555,  635,   0,  -9, 345,   9, 4.0,,O13 ,,C,31,H,55,,,O,13,,,,,,,,,,,,,,,,,
      56, 235.045948,  0.4900, 1800389.11,  234.7835,  235,   0,  -3, 216,  10, 3.0,,O8 ,,C,8,H,11,,,O,8,,,,,,,,,,,,,,,,,
      57, 249.061590,  2.4602, 1688849.75,  248.7835,  249,   0,  -3, 216,  10, 3.0,,O8 ,,C,9,H,13,,,O,8,,,,,,,,,,,,,,,,,
      58, 263.077237,  3.8082, 1599649.27,  262.7835,  263,   0,  -3, 216,  10, 3.0,,O8 ,,C,10,H,15,,,O,8,,,,,,,,,,,,,,,,,
      59, 277.092883, 31.8595, 1563582.58,  276.7835,  277,   0,  -3, 216,  10, 3.0,,O8 ,,C,11,H,17,,,O,8,,,,,,,,,,,,,,,,,
      60, 459.296326,  0.4123,  916006.36,  458.7835,  459,   0,  -3, 216,  10, 3.0,,O8 ,,C,24,H,43,,,O,8,,,,,,,,,,,,,,,,,
      61, 473.311985,  0.2947,  801669.41,  472.7836,  473,   0,  -3, 216,  10, 3.0,,O8 ,,C,25,H,45,,,O,8,,,,,,,,,,,,,,,,,
      62, 457.119874,  0.4790,  864314.84,  456.6095,  457,   0,  -5, 390,  11, 4.0,,O15 ,,C,16,H,25,,,O,15,,,,,,,,,,,,,,,,,
      63, 471.135525,  1.1911,  854542.92,  470.6095,  471,   0,  -5, 390,  11, 4.0,,O15 ,,C,17,H,27,,,O,15,,,,,,,,,,,,,,,,,
      64, 485.151172, 30.8146,  825397.57,  484.6095,  485,   0,  -5, 390,  11, 4.0,,O15 ,,C,18,H,29,,,O,15,,,,,,,,,,,,,,,,,
      65, 227.201668,  0.1713, 1655295.72,  226.9480,  227,   0, -11,  52,  12, 1.0,,O2 ,,C,14,H,27,,,O,2,,,,,,,,,,,,,,,,,
      66, 241.217313,  0.1148, 1396656.39,  240.9480,  241,   0, -11,  52,  12, 1.0,,O2 ,,C,15,H,29,,,O,2,,,,,,,,,,,,,,,,,
      67, 255.232960, 18.6966, 1603193.22,  254.9480,  255,   0, -11,  52,  12, 1.0,,O2 ,,C,16,H,31,,,O,2,,,,,,,,,,,,,,,,,
      68, 269.248614,  0.2318, 1370810.15,  268.9480,  269,   0, -11,  52,  12, 1.0,,O2 ,,C,17,H,33,,,O,2,,,,,,,,,,,,,,,,,
      69, 283.264257, 29.9828, 1489661.41,  282.9480,  283,   0, -11,  52,  12, 1.0,,O2 ,,C,18,H,35,,,O,2,,,,,,,,,,,,,,,,,
      70, 311.295559,  0.3876, 1346337.31,  310.9480,  311,   0, -11,  52,  12, 1.0,,O2 ,,C,20,H,39,,,O,2,,,,,,,,,,,,,,,,,
      71, 549.167236, 27.2447,  729772.09,  548.5541,  549,   0, -11, 446,  13, 3.0,,O18 ,,C,19,H,33,,,O,18,,,,,,,,,,,,,,,,,
      72, 759.402177,  1.4064,  558702.62,  758.5543,  759,   0, -11, 446,  13, 3.0,,O18 ,,C,34,H,63,,,O,18,,,,,,,,,,,,,,,,,
      73, 787.433488,  1.1094,  551498.55,  786.5544,  787,   0, -11, 446,  13, 3.0,,O18 ,,C,36,H,67,,,O,18,,,,,,,,,,,,,,,,,
      74,1039.714891,  0.1868,  509808.66, 1038.5541, 1039,   0, -11, 446,  13, 3.0,,O18 ,,C,54,H,103,,,O,18,,,,,,,,,,,,,,,,,
      75, 355.088176,  0.5782, 1159897.19,  354.6917,  355,   0,  -9, 308,  14, 3.0,,O12 ,,C,12,H,19,,,O,12,,,,,,,,,,,,,,,,,
      76, 369.103825, 27.1994, 1102701.22,  368.6917,  369,   0,  -9, 308,  14, 3.0,,O12 ,,C,13,H,21,,,O,12,,,,,,,,,,,,,,,,,
      77, 397.135132,  0.4783, 1027688.31,  396.6917,  397,   0,  -9, 308,  14, 3.0,,O12 ,,C,15,H,25,,,O,12,,,,,,,,,,,,,,,,,
      78, 579.338652,  4.2950,  677441.10,  578.6918,  579,   0,  -9, 308,  14, 3.0,,O12 ,,C,28,H,51,,,O,12,,,,,,,,,,,,,,,,,
      79, 593.354244,  0.1818,  698082.45,  592.6918,  593,   0,  -9, 308,  14, 3.0,,O12 ,,C,29,H,53,,,O,12,,,,,,,,,,,,,,,,,
      80, 607.369974,  4.2424,  675046.27,  606.6919,  607,   0,  -9, 308,  14, 3.0,,O12 ,,C,30,H,55,,,O,12,,,,,,,,,,,,,,,,,
      81, 193.035391,  0.1173, 2273355.03,  192.8199,  193,   0,  -3, 180,  15, 2.0,,O7 ,,C,6,H,9,,,O,7,,,,,,,,,,,,,,,,,
      82, 207.051040,  4.6626, 1962941.93,  206.8199,  207,   0,  -3, 180,  15, 2.0,,O7 ,,C,7,H,11,,,O,7,,,,,,,,,,,,,,,,,
      83, 221.066684, 10.2481, 1828877.76,  220.8199,  221,   0,  -3, 180,  15, 2.0,,O7 ,,C,8,H,13,,,O,7,,,,,,,,,,,,,,,,,
      84, 235.082331,  0.1163, 1645871.11,  234.8199,  235,   0,  -3, 180,  15, 2.0,,O7 ,,C,9,H,15,,,O,7,,,,,,,,,,,,,,,,,
      85, 305.160570,  0.3809, 1416572.54,  304.8199,  305,   0,  -3, 180,  15, 2.0,,O7 ,,C,14,H,25,,,O,7,,,,,,,,,,,,,,,,,
      86, 319.176209,  0.5162, 1311414.92,  318.8199,  319,   0,  -3, 180,  15, 2.0,,O7 ,,C,15,H,27,,,O,7,,,,,,,,,,,,,,,,,
      87, 389.254460,  0.3144, 1014669.62,  388.8199,  389,   0,  -3, 180,  15, 2.0,,O7 ,,C,20,H,37,,,O,7,,,,,,,,,,,,,,,,,
      88, 403.270124,  1.1809, 1008819.59,  402.8199,  403,   0,  -3, 180,  15, 2.0,,O7 ,,C,21,H,39,,,O,7,,,,,,,,,,,,,,,,,
      89, 417.285783, 26.6941,  994963.51,  416.8199,  417,   0,  -3, 180,  15, 2.0,,O7 ,,C,22,H,41,,,O,7,,,,,,,,,,,,,,,,,
      90, 431.301425,  1.7538,  955873.68,  430.8199,  431,   0,  -3, 180,  15, 2.0,,O7 ,,C,23,H,43,,,O,7,,,,,,,,,,,,,,,,,
      91, 445.317080, 27.0216,  927393.78,  444.8199,  445,   0,  -3, 180,  15, 2.0,,O7 ,,C,24,H,45,,,O,7,,,,,,,,,,,,,,,,,
      92, 563.182894, 25.1391,  710818.66,  562.5541,  563,   0, -11, 446,  16, 3.0,,O18 ,,C,20,H,35,,,O,18,,,,,,,,,,,,,,,,,
      93, 383.119476, 24.1577, 1059989.62,  382.6917,  383,   0,  -9, 308,  17, 3.0,,O12 ,,C,14,H,23,,,O,12,,,,,,,,,,,,,,,,,
      94, 651.198907,  0.4487,  663937.99,  650.4719,  651,   0,  -8,-472,  18, 4.0,,O21 ,,C,23,H,39,,,O,21,,,,,,,,,,,,,,,,,
      95, 665.214623, 24.0084,  636207.97,  664.4719,  665,   0,  -8,-472,  18, 4.0,,O21 ,,C,24,H,41,,,O,21,,,,,,,,,,,,,,,,,
      96, 377.085590, 23.3069, 1076062.34,  376.6646,  377,   0,  -1, 335,  19, 0.0,,,No Hit
      97, 359.119479, 23.0716, 1138133.33,  358.7185,  359,   0,  -5, 281,  20, 1.0,,O12 ,,C,12,H,23,,,O,12,,,,,,,,,,,,,,,,,
      98, 319.067065,  1.3172, 1322428.23,  318.7108,  319,   0,  -3, 289,  21, 5.0,,O10 ,,C,12,H,15,,,O,10,,,,,,,,,,,,,,,,,
      99, 333.082709, 19.8974, 1250399.94,  332.7108,  333,   0,  -3, 289,  21, 5.0,,O10 ,,C,13,H,17,,,O,10,,,,,,,,,,,,,,,,,
     100, 361.113992,  0.9191, 1155172.47,  360.7108,  361,   0,  -3, 289,  21, 5.0,,O10 ,,C,15,H,21,,,O,10,,,,,,,,,,,,,,,,,
     101, 375.129640,  4.3867, 1085218.15,  374.7108,  375,   0,  -3, 289,  21, 5.0,,O10 ,,C,16,H,23,,,O,10,,,,,,,,,,,,,,,,,
     102, 389.145303,  0.2601, 1001667.02,  388.7108,  389,   0,  -3, 289,  21, 5.0,,O10 ,,C,17,H,25,,,O,10,,,,,,,,,,,,,,,,,
     103, 543.317500, 10.9200,  728918.09,  542.7109,  543,   0,  -3, 289,  21, 5.0,,O10 ,,C,28,H,47,,,O,10,,,,,,,,,,,,,,,,,
     104, 557.333143,  0.1824,  723658.75,  556.7109,  557,   0,  -3, 289,  21, 5.0,,O10 ,,C,29,H,49,,,O,10,,,,,,,,,,,,,,,,,
     105, 571.348820, 10.8513,  690980.72,  570.7109,  571,   0,  -3, 289,  21, 5.0,,O10 ,,C,30,H,51,,,O,10,,,,,,,,,,,,,,,,,
     106, 435.114393,  1.5371,  946234.28,  434.6286,  435,   0, -13, 371,  22, 6.0,,O13 ,,C,17,H,23,,,O,13,,,,,,,,,,,,,,,,,
     107, 449.130044, 17.7198,  912682.85,  448.6286,  449,   0, -13, 371,  22, 6.0,,O13 ,,C,18,H,25,,,O,13,,,,,,,,,,,,,,,,,
     108, 273.061587,  1.2140, 1554725.93,  272.7567,  273,   0,  -7, 243,  23, 5.0,,O8 ,,C,11,H,13,,,O,8,,,,,,,,,,,,,,,,,
     109, 287.077237, 16.2067, 1463731.59,  286.7567,  287,   0,  -7, 243,  23, 5.0,,O8 ,,C,12,H,15,,,O,8,,,,,,,,,,,,,,,,,
     110, 315.108528,  0.3019, 1267641.57,  314.7567,  315,   0,  -7, 243,  23, 5.0,,O8 ,,C,14,H,19,,,O,8,,,,,,,,,,,,,,,,,
     111, 483.296330,  0.8673,  861490.80,  482.7568,  483,   0,  -7, 243,  23, 5.0,,O8 ,,C,26,H,43,,,O,8,,,,,,,,,,,,,,,,,
     112, 497.312016,  0.4402,  791189.40,  496.7568,  497,   0,  -7, 243,  23, 5.0,,O8 ,,C,27,H,45,,,O,8,,,,,,,,,,,,,,,,,
     113, 525.343309,  0.5060,  754092.13,  524.7568,  525,   0,  -7, 243,  23, 5.0,,O8 ,,C,29,H,49,,,O,8,,,,,,,,,,,,,,,,,
     114, 347.098353, 16.0165, 1191662.15,  346.7108,  347,   0,  -3, 289,  24, 5.0,,O10 ,,C,14,H,19,,,O,10,,,,,,,,,,,,,,,,,
     115, 507.156671,  0.3631,  715507.22,  506.5905,  507,   0, -11, 410,  25, 2.0,,O17 ,,C,17,H,31,,,O,17,,,,,,,,,,,,,,,,,
     116, 521.172324, 14.6808,  761362.62,  520.5905,  521,   0, -11, 410,  25, 2.0,,O17 ,,C,18,H,33,,,O,17,,,,,,,,,,,,,,,,,
     117, 577.162165,  1.0015,  667989.33,  576.5178,  577,   0, -11, 482,  26, 4.0,,O19 ,,C,20,H,33,,,O,19,,,,,,,,,,,,,,,,,
     118, 591.177816,  3.3852,  689488.44,  590.5178,  591,   0, -11, 482,  26, 4.0,,O19 ,,C,21,H,35,,,O,19,,,,,,,,,,,,,,,,,
     119, 605.193483,  1.6534,  677697.06,  604.5178,  605,   0, -11, 482,  26, 4.0,,O19 ,,C,22,H,37,,,O,19,,,,,,,,,,,,,,,,,
     120, 619.209142, 14.1560,  668445.80,  618.5178,  619,   0, -11, 482,  26, 4.0,,O19 ,,C,23,H,39,,,O,19,,,,,,,,,,,,,,,,,
     121, 179.056133, 13.4809, 2232392.88,  178.8562,  179,   0,  -3, 144,  27, 1.0,,O6 ,,C,6,H,11,,,O,6,,,,,,,,,,,,,,,,,
     122, 453.124960,  2.7272,  905298.34,  452.6191,  453,   0,  -9, 381,  28, 5.0,,O14 ,,C,17,H,25,,,O,14,,,,,,,,,,,,,,,,,
     123, 467.140610, 13.4021,  868340.81,  466.6191,  467,   0,  -9, 381,  28, 5.0,,O14 ,,C,18,H,27,,,O,14,,,,,,,,,,,,,,,,,
     124, 309.040453,  0.9327, 1363405.12,  308.6954,  309,   0, -13, 305,  29,13.0,,O6 ,,C,17,H,9,,,O,6,,,,,,,,,,,,,,,,,
     125, 323.056101, 13.3584, 1298152.33,  322.6954,  323,   0, -13, 305,  29,13.0,,O6 ,,C,18,H,11,,,O,6,,,,,,,,,,,,,,,,,
     126, 351.087385,  0.5201, 1164645.68,  350.6954,  351,   0, -13, 305,  29,13.0,,O6 ,,C,20,H,15,,,O,6,,,,,,,,,,,,,,,,,
     127, 365.103047,  0.4345, 1144616.67,  364.6954,  365,   0, -13, 305,  29,13.0,,O6 ,,C,21,H,17,,,O,6,,,,,,,,,,,,,,,,,
     128, 379.118684,  0.2623, 1056686.94,  378.6954,  379,   0, -13, 305,  29,13.0,,O6 ,,C,22,H,19,,,O,6,,,,,,,,,,,,,,,,,
     129, 343.067044,  0.2804, 1169501.36,  342.6840,  343,   0,  -7, 316,  30, 7.0,,O10 ,,C,14,H,15,,,O,10,,,,,,,,,,,,,,,,,
     130, 357.082693,  1.0435, 1169548.58,  356.6840,  357,   0,  -7, 316,  30, 7.0,,O10 ,,C,15,H,17,,,O,10,,,,,,,,,,,,,,,,,
     131, 371.098343,  1.5239, 1090530.74,  370.6840,  371,   0,  -7, 316,  30, 7.0,,O10 ,,C,16,H,19,,,O,10,,,,,,,,,,,,,,,,,
     132, 385.113994, 12.4161, 1056425.43,  384.6840,  385,   0,  -7, 316,  30, 7.0,,O10 ,,C,17,H,21,,,O,10,,,,,,,,,,,,,,,,,
     133, 357.103826, 12.2477, 1153054.64,  356.7051,  357,   0,  -7, 295,  31, 2.0,,O12 ,,C,12,H,21,,,O,12,,,,,,,,,,,,,,,,,
     134, 683.225209, 11.7171,  609364.15,  682.4624,  683,   0,  -4,-462,  32, 3.0,,O22 ,*, C,24,H,43,,,O,22,,,,,,,,,,,,,,,,,
     135, 291.072152,  3.8484, 1438520.16,  290.7472,  291,   0,  -3, 253,  33, 4.0,,O9 ,,C,11,H,15,,,O,9,,,,,,,,,,,,,,,,,
     136, 305.087802, 11.1392, 1370583.78,  304.7472,  305,   0,  -3, 253,  33, 4.0,,O9 ,,C,12,H,17,,,O,9,,,,,,,,,,,,,,,,,
     137, 333.119096,  0.3462, 1284306.07,  332.7472,  333,   0,  -3, 253,  33, 4.0,,O9 ,,C,14,H,21,,,O,9,,,,,,,,,,,,,,,,,
     138, 515.322592,  1.0246,  770698.96,  514.7473,  515,   0,  -3, 253,  33, 4.0,,O9 ,,C,27,H,47,,,O,9,,,,,,,,,,,,,,,,,
     139, 543.353877,  1.1214,  715339.84,  542.7472,  543,   0,  -3, 253,  33, 4.0,,O9 ,,C,29,H,51,,,O,9,,,,,,,,,,,,,,,,,
     140, 711.220168, 10.3529,  603515.68,  710.4261,  711,   0,  -4,-426,  34, 4.0,,O23 ,*, C,25,H,43,,,O,23,,,,,,,,,,,,,,,,,
     141, 725.235833, 11.1242,  603293.99,  724.4261,  725,   0,  -4,-426,  34, 4.0,,O23 ,*, C,26,H,45,,,O,23,,,,,,,,,,,,,,,,,
     142, 921.455126,  0.3090,  457834.00,  920.4264,  921,   0,  -4,-426,  34, 4.0,,O23 ,*, C,40,H,73,,,O,23,,,,,,,,,,,,,,,,,
     143, 949.486412,  0.3248,  456148.08,  948.4264,  949,   0,  -4,-426,  34, 4.0,,O23 ,*, C,42,H,77,,,O,23,,,,,,,,,,,,,,,,,
     144, 439.076293, 10.8437,  946251.76,  438.5861,  439,   0,  -9, 414,  35,28.0,,O2 ,*, C,33,H,11,,,O,2,,,,,,,,,,,,,,,,,
     145, 523.130436,  0.4682,  768005.56,  522.5464,  523,   0,  -9, 454,  36, 7.0,,O16 ,,C,20,H,27,,,O,16,,,,,,,,,,,,,,,,,
     146, 537.146104,  1.4007,  732999.50,  536.5464,  537,   0,  -9, 454,  36, 7.0,,O16 ,,C,21,H,29,,,O,16,,,,,,,,,,,,,,,,,
     147, 551.161752,  0.7261,  717659.31,  550.5464,  551,   0,  -9, 454,  36, 7.0,,O16 ,,C,22,H,31,,,O,16,,,,,,,,,,,,,,,,,
     148, 565.177405, 10.6584,  710395.87,  564.5464,  565,   0,  -9, 454,  36, 7.0,,O16 ,,C,23,H,33,,,O,16,,,,,,,,,,,,,,,,,
     149, 417.124958,  9.9684,  994414.44,  416.6593,  417,   0,  -3, 341,  37, 2.0,,O14 ,,C,14,H,25,,,O,14,,,,,,,,,,,,,,,,,
     150, 813.251964,  0.2361,  467685.86,  812.3440,  813,   0, -14,-344,  38, 5.0,,O26 ,*, C,29,H,49,,,O,26,,,,,,,,,,,,,,,,,
     151, 827.267548,  9.8015,  528461.93,  826.3439,  827,   0, -14,-344,  38, 5.0,,O26 ,*, C,30,H,51,,,O,26,,,,,,,,,,,,,,,,,
     152, 619.172770,  0.1652,  670463.30,  618.4815,  619,   0, -12,-481,  39, 5.0,,O20 ,*, C,22,H,35,,,O,20,,,,,,,,,,,,,,,,,
     153, 633.188424,  0.3615,  663878.76,  632.4815,  633,   0, -12,-481,  39, 5.0,,O20 ,*, C,23,H,37,,,O,20,,,,,,,,,,,,,,,,,
     154, 647.204059,  9.4914,  647066.80,  646.4815,  647,   0, -12,-481,  39, 5.0,,O20 ,*, C,24,H,39,,,O,20,,,,,,,,,,,,,,,,,
     155, 517.141011,  0.4274,  760293.13,  516.5636,  517,   0,  -1, 436,  40, 4.0,,O17 ,,C,18,H,29,,,O,17,,,,,,,,,,,,,,,,,
     156, 531.156670,  8.9505,  753856.16,  530.5637,  531,   0,  -1, 436,  40, 4.0,,O17 ,,C,19,H,31,,,O,17,,,,,,,,,,,,,,,,,
     157, 545.172320,  9.2802,  733749.70,  544.5637,  545,   0,  -1, 436,  40, 4.0,,O17 ,,C,20,H,33,,,O,17,,,,,,,,,,,,,,,,,
     158, 741.391594,  0.5045,  564490.03,  740.5639,  741,   0,  -1, 436,  40, 4.0,,O17 ,,C,34,H,61,,,O,17,,,,,,,,,,,,,,,,,
     159, 769.422919,  0.5524,  597310.68,  768.5639,  769,   0,  -1, 436,  40, 4.0,,O17 ,,C,36,H,65,,,O,17,,,,,,,,,,,,,,,,,
     160, 417.103828,  0.8633,  988376.18,  416.6382,  417,   0,  -3, 362,  41, 7.0,,O12 ,,C,17,H,21,,,O,12,,,,,,,,,,,,,,,,,
     161, 431.119478,  9.2785,  968600.09,  430.6382,  431,   0,  -3, 362,  41, 7.0,,O12 ,,C,18,H,23,,,O,12,,,,,,,,,,,,,,,,,
     162, 459.150788,  0.5051,  880397.95,  458.6382,  459,   0,  -3, 362,  41, 7.0,,O12 ,,C,20,H,27,,,O,12,,,,,,,,,,,,,,,,,
     163, 669.385591,  0.1681,  650357.35,  668.6383,  669,   0,  -3, 362,  41, 7.0,,O12 ,,C,35,H,57,,,O,12,,,,,,,,,,,,,,,,,
     164, 539.138430,  8.4284,  742151.96,  538.5365,  539,   0,  -7, 463,  42, 0.0,,,No Hit
     165, 359.075025,  8.1428, 1148033.85,  358.6741,  359,   0,  -5, 326,  43, 0.0,,,No Hit
     166, 481.119878,  0.8220,  849489.02,  480.5827,  481,   0,  -9, 417,  44, 6.0,,O15 ,,C,18,H,25,,,O,15,,,,,,,,,,,,,,,,,
     167, 495.135529,  7.9231,  810085.49,  494.5827,  495,   0,  -9, 417,  44, 6.0,,O15 ,,C,19,H,27,,,O,15,,,,,,,,,,,,,,,,,
     168, 523.166832,  0.3684,  717582.21,  522.5827,  523,   0,  -9, 417,  44, 6.0,,O15 ,,C,21,H,31,,,O,15,,,,,,,,,,,,,,,,,
     169, 537.182462,  0.9967,  734668.50,  536.5827,  537,   0,  -9, 417,  44, 6.0,,O15 ,,C,22,H,33,,,O,15,,,,,,,,,,,,,,,,,
     170, 705.370448,  1.1172,  574144.86,  704.5829,  705,   0,  -9, 417,  44, 6.0,,O15 ,,C,34,H,57,,,O,15,,,,,,,,,,,,,,,,,
     171, 733.401748,  1.2269,  583396.53,  732.5829,  733,   0,  -9, 417,  44, 6.0,,O15 ,,C,36,H,61,,,O,15,,,,,,,,,,,,,,,,,
     172, 223.024823,  0.1144, 1710038.62,  222.7758,  223,   0,  -1, 224,  45, 7.0,,O6 ,,C,10,H,7,,,O,6,,,,,,,,,,,,,,,,,
     173, 237.040465,  0.4627, 1807810.62,  236.7758,  237,   0,  -1, 224,  45, 7.0,,O6 ,,C,11,H,9,,,O,6,,,,,,,,,,,,,,,,,
     174, 251.056111,  7.8335, 1666441.19,  250.7758,  251,   0,  -1, 224,  45, 7.0,,O6 ,,C,12,H,11,,,O,6,,,,,,,,,,,,,,,,,
     175, 279.087409,  0.7053, 1516304.38,  278.7758,  279,   0,  -1, 224,  45, 7.0,,O6 ,,C,14,H,15,,,O,6,,,,,,,,,,,,,,,,,
     176, 293.103056,  0.3109, 1371958.94,  292.7758,  293,   0,  -1, 224,  45, 7.0,,O6 ,,C,15,H,17,,,O,6,,,,,,,,,,,,,,,,,
     177, 379.082638,  7.3790, 1064642.23,  378.6594,  379,   0, -13, 341,  46, 4.0,,N2 O4 S3 ,,C,14,H,23,N,2,O,4,S,3,,,,,,,,,,,,,,,
     178, 509.151185,  7.2115,  779385.14,  508.5827,  509,   0,  -9, 417,  47, 6.0,,O15 ,,C,20,H,29,,,O,15,,,,,,,,,,,,,,,,,
     179, 265.147903,  7.0798, 1582559.53,  264.8519,  265,   0,  -1, 148,  48, 0.0,,O4 S1 ,,C,12,H,25,,,O,4,S,1,,,,,,,,,,,,,,,
     180, 293.179205,  0.5542, 1409873.39,  292.8519,  293,   0,  -1, 148,  48, 0.0,,O4 S1 ,,C,14,H,29,,,O,4,S,1,,,,,,,,,,,,,,,
     181, 597.167260,  0.5005,  690583.61,  596.5006,  597,   0,  -5, 499,  49, 7.0,,O18 ,,C,23,H,33,,,O,18,,,,,,,,,,,,,,,,,
     182, 611.182915,  6.9984,  676176.84,  610.5006,  611,   0,  -5, 499,  49, 7.0,,O18 ,,C,24,H,35,,,O,18,,,,,,,,,,,,,,,,,
     183, 559.151580,  0.5794,  691419.81,  558.5273,  559,   0,  -1, 473,  50, 5.0,,O18 ,,C,20,H,31,,,O,18,,,,,,,,,,,,,,,,,
     184, 573.167244,  1.7758,  684212.08,  572.5273,  573,   0,  -1, 473,  50, 5.0,,O18 ,,C,21,H,33,,,O,18,,,,,,,,,,,,,,,,,
     185, 587.182885,  0.6521,  679904.08,  586.5273,  587,   0,  -1, 473,  50, 5.0,,O18 ,,C,22,H,35,,,O,18,,,,,,,,,,,,,,,,,
     186, 601.198558,  6.8488,  680002.18,  600.5273,  601,   0,  -1, 473,  50, 5.0,,O18 ,,C,23,H,37,,,O,18,,,,,,,,,,,,,,,,,
     187, 323.053910,  6.8179, 1305920.58,  322.6932,  323,   0, -13, 307,  51, 0.0,,,No Hit
     188, 855.648823,  0.1876,  406152.46,  854.6935,  855,   0, -13, 306,  51, 0.0,,,No Hit
     189, 289.035368,  0.1945, 1450965.49,  288.7127,  289,   0,  -5, 287,  52,10.0,,O7 ,,C,14,H,9,,,O,7,,,,,,,,,,,,,,,,,
     190, 303.051024,  0.5464, 1363506.62,  302.7127,  303,   0,  -5, 287,  52,10.0,,O7 ,,C,15,H,11,,,O,7,,,,,,,,,,,,,,,,,
     191, 317.066670,  1.4944, 1341506.95,  316.7127,  317,   0,  -5, 287,  52,10.0,,O7 ,,C,16,H,13,,,O,7,,,,,,,,,,,,,,,,,
     192, 331.082313,  6.7234, 1266293.89,  330.7127,  331,   0,  -5, 287,  52,10.0,,O7 ,,C,17,H,15,,,O,7,,,,,,,,,,,,,,,,,
     193, 359.113599,  0.3777, 1159925.21,  358.7127,  359,   0,  -5, 287,  52,10.0,,O7 ,,C,19,H,19,,,O,7,,,,,,,,,,,,,,,,,
     194, 265.056500,  0.2007, 1363125.66,  264.7606,  265,   0,  -1, 239,  53, 3.0,,O9 ,,C,9,H,13,,,O,9,,,,,,,,,,,,,,,,,
     195, 279.072156,  0.4848, 1544465.82,  278.7606,  279,   0,  -1, 239,  53, 3.0,,O9 ,,C,10,H,15,,,O,9,,,,,,,,,,,,,,,,,
     196, 293.087803,  6.4692, 1426010.40,  292.7606,  293,   0,  -1, 239,  53, 3.0,,O9 ,,C,11,H,17,,,O,9,,,,,,,,,,,,,,,,,
     197, 321.119096,  1.0655, 1328030.75,  320.7606,  321,   0,  -1, 239,  53, 3.0,,O9 ,,C,13,H,21,,,O,9,,,,,,,,,,,,,,,,,
     198, 517.338229,  1.0329,  741336.93,  516.7606,  517,   0,  -1, 239,  53, 3.0,,O9 ,,C,27,H,49,,,O,9,,,,,,,,,,,,,,,,,
     199, 545.369516,  1.1245,  721322.11,  544.7606,  545,   0,  -1, 239,  53, 3.0,,O9 ,,C,29,H,53,,,O,9,,,,,,,,,,,,,,,,,
     200, 515.287752,  6.4386,  778740.56,  514.7125,  515,   0,  -3, 288,  54, 5.0,,N1 O7 S1 13C1 ,#, C,25,H,44,N,1,O,7,S,1,,,13C,1, ,,,,,,,,,,
     201, 519.135508,  0.6281,  734373.72,  518.5559,  519,   0, -13, 444,  55, 8.0,,O15 ,,C,21,H,27,,,O,15,,,,,,,,,,,,,,,,,
     202, 533.151180,  0.5254,  725725.79,  532.5559,  533,   0, -13, 444,  55, 8.0,,O15 ,,C,22,H,29,,,O,15,,,,,,,,,,,,,,,,,
     203, 547.166830,  6.4347,  730458.68,  546.5559,  547,   0, -13, 444,  55, 8.0,,O15 ,,C,23,H,31,,,O,15,,,,,,,,,,,,,,,,,
     204, 615.177834,  0.9819,  662296.03,  614.4910,  615,   0,  -2,-491,  56, 6.0,,O19 ,,C,23,H,35,,,O,19,,,,,,,,,,,,,,,,,
     205, 629.193492,  6.1155,  668446.87,  628.4910,  629,   0,  -2,-491,  56, 6.0,,O19 ,,C,24,H,37,,,O,19,,,,,,,,,,,,,,,,,
     206, 241.035385,  0.1169, 1823714.19,  240.7663,  241,   0, -11, 234,  57, 6.0,,O7 ,,C,10,H,9,,,O,7,,,,,,,,,,,,,,,,,
     207, 255.051026,  0.4502, 1631070.98,  254.7663,  255,   0, -11, 234,  57, 6.0,,O7 ,,C,11,H,11,,,O,7,,,,,,,,,,,,,,,,,
     208, 269.066671,  6.0608, 1576022.31,  268.7663,  269,   0, -11, 234,  57, 6.0,,O7 ,,C,12,H,13,,,O,7,,,,,,,,,,,,,,,,,
     209, 297.097973,  0.2781, 1432435.06,  296.7663,  297,   0, -11, 234,  57, 6.0,,O7 ,,C,14,H,17,,,O,7,,,,,,,,,,,,,,,,,
     210, 465.285762,  0.4404,  856516.86,  464.7663,  465,   0, -11, 234,  57, 6.0,,O7 ,,C,26,H,41,,,O,7,,,,,,,,,,,,,,,,,
     211, 479.301433,  0.3671,  797624.17,  478.7663,  479,   0, -11, 234,  57, 6.0,,O7 ,,C,27,H,43,,,O,7,,,,,,,,,,,,,,,,,
     212, 507.332751,  0.3598,  803575.09,  506.7663,  507,   0, -11, 234,  57, 6.0,,O7 ,,C,29,H,47,,,O,7,,,,,,,,,,,,,,,,,
     213, 845.278160,  6.0062,  521567.01,  844.3344,  845,   0, -10,-334,  58, 4.0,,O27 ,*, C,30,H,53,,,O,27,,,,,,,,,,,,,,,,,
     214, 297.152994,  1.3581, 1404969.50,  296.8212,  297,   0, -11, 179,  59, 4.0,,O3 S1 ,,C,16,H,25,,,O,3,S,1,,,,,,,,,,,,,,,
     215, 311.168642,  4.2997, 1328738.03,  310.8212,  311,   0, -11, 179,  59, 4.0,,O3 S1 ,,C,17,H,27,,,O,3,S,1,,,,,,,,,,,,,,,
     216, 325.184287,  5.7811, 1277298.39,  324.8212,  325,   0, -11, 179,  59, 4.0,,O3 S1 ,,C,18,H,29,,,O,3,S,1,,,,,,,,,,,,,,,
     217, 431.140610,  5.6050,  966003.67,  430.6593,  431,   0,  -3, 341,  60, 2.0,,O14 ,,C,15,H,27,,,O,14,,,,,,,,,,,,,,,,,
     218, 739.215084,  0.4656,  572135.01,  738.3898,  739,   0,  -4,-390,  61, 5.0,,O24 ,*, C,26,H,43,,,O,24,,,,,,,,,,,,,,,,,
     219, 753.230750,  1.4955,  576207.57,  752.3898,  753,   0,  -4,-390,  61, 5.0,,O24 ,*, C,27,H,45,,,O,24,,,,,,,,,,,,,,,,,
     220, 767.246423,  0.5641,  601931.99,  766.3898,  767,   0,  -4,-390,  61, 5.0,,O24 ,*, C,28,H,47,,,O,24,,,,,,,,,,,,,,,,,
     221, 781.262075,  5.5556,  574041.93,  780.3898,  781,   0,  -4,-390,  61, 5.0,,O24 ,*, C,29,H,49,,,O,24,,,,,,,,,,,,,,,,,
     222, 399.093261,  1.6051, 1023400.00,  398.6477,  399,   0,  -7, 352,  62, 8.0,,O11 ,,C,17,H,19,,,O,11,,,,,,,,,,,,,,,,,
     223, 413.108919,  5.4785, 1011301.53,  412.6477,  413,   0,  -7, 352,  62, 8.0,,O11 ,,C,18,H,21,,,O,11,,,,,,,,,,,,,,,,,
     224, 441.140208,  0.4499,  906732.90,  440.6477,  441,   0,  -7, 352,  62, 8.0,,O11 ,,C,20,H,25,,,O,11,,,,,,,,,,,,,,,,,
     225, 385.098734,  0.5629, 1031990.16,  384.6688,  385,   0,  -7, 331,  63, 3.0,,O13 ,,C,13,H,21,,,O,13,,,,,,,,,,,,,,,,,
     226, 399.114390,  5.2811, 1027650.54,  398.6688,  399,   0,  -7, 331,  63, 3.0,,O13 ,,C,14,H,23,,,O,13,,,,,,,,,,,,,,,,,
     227, 441.161344,  0.6948,  947283.16,  440.6688,  441,   0,  -7, 331,  63, 3.0,,O13 ,,C,17,H,29,,,O,13,,,,,,,,,,,,,,,,,
     228, 623.364914,  0.3048,  559751.07,  622.6690,  623,   0,  -7, 331,  63, 3.0,,O13 ,,C,30,H,55,,,O,13,,,,,,,,,,,,,,,,,
     229, 215.032800,  5.2789, 1898439.12,  214.7927,  215,   0,  -9, 207,  64, 0.0,,,No Hit
     230, 325.056499,  0.2997, 1273883.41,  324.6936,  325,   0, -11, 306,  65, 8.0,,O9 ,,C,14,H,13,,,O,9,,,,,,,,,,,,,,,,,
     231, 339.072138,  0.7687, 1231160.12,  338.6936,  339,   0, -11, 306,  65, 8.0,,O9 ,,C,15,H,15,,,O,9,,,,,,,,,,,,,,,,,
     232, 353.087780,  1.1230, 1185029.32,  352.6936,  353,   0, -11, 306,  65, 8.0,,O9 ,,C,16,H,17,,,O,9,,,,,,,,,,,,,,,,,
     233, 367.103428,  5.1146, 1115814.78,  366.6936,  367,   0, -11, 306,  65, 8.0,,O9 ,,C,17,H,19,,,O,9,,,,,,,,,,,,,,,,,
     234, 195.051044,  4.9295, 2088445.83,  194.8333,  195,   0,  -1, 167,  66, 1.0,,O7 ,,C,6,H,11,,,O,7,,,,,,,,,,,,,,,,,
     235, 313.035372,  0.3239, 1276307.48,  312.6859,  313,   0,  -9, 314,  67,12.0,,O7 ,,C,16,H,9,,,O,7,,,,,,,,,,,,,,,,,
     236, 327.051015,  0.9772, 1309284.28,  326.6859,  327,   0,  -9, 314,  67,12.0,,O7 ,,C,17,H,11,,,O,7,,,,,,,,,,,,,,,,,
     237, 341.066658,  4.8624, 1231067.89,  340.6859,  341,   0,  -9, 314,  67,12.0,,O7 ,,C,18,H,13,,,O,7,,,,,,,,,,,,,,,,,
     238, 369.097950,  0.6682, 1116988.10,  368.6859,  369,   0,  -9, 314,  67,12.0,,O7 ,,C,20,H,17,,,O,7,,,,,,,,,,,,,,,,,
     239, 383.113597,  0.4608, 1086376.64,  382.6859,  383,   0,  -9, 314,  67,12.0,,O7 ,,C,21,H,19,,,O,7,,,,,,,,,,,,,,,,,
     240, 397.129250,  0.2887, 1018114.90,  396.6859,  397,   0,  -9, 314,  67,12.0,,O7 ,,C,22,H,21,,,O,7,,,,,,,,,,,,,,,,,
     241, 379.088174,  0.3435, 1036528.03,  378.6649,  379,   0, -13, 335,  68, 5.0,,O12 ,,C,14,H,19,,,O,12,,,,,,,,,,,,,,,,,
     242, 393.103827,  1.9045, 1034072.71,  392.6649,  393,   0, -13, 335,  68, 5.0,,O12 ,,C,15,H,21,,,O,12,,,,,,,,,,,,,,,,,
     243, 407.119480,  1.2179, 1012609.96,  406.6650,  407,   0, -13, 335,  68, 5.0,,O12 ,,C,16,H,23,,,O,12,,,,,,,,,,,,,,,,,
     244, 421.135127,  4.7961,  985792.52,  420.6649,  421,   0, -13, 335,  68, 5.0,,O12 ,,C,17,H,25,,,O,12,,,,,,,,,,,,,,,,,
     245, 855.620035,  0.1920,  217246.41,  854.6648,  855,   0, -13, 335,  68, 5.0,,O12 ,,C,48,H,87,,,O,12,,,,,,,,,,,,,,,,,
     246, 601.129161,  4.7599,  692047.39,  600.4580,  601,   0,  -2,-458,  69,29.0,,O7 ,*, C,39,H,21,,,O,7,,,,,,,,,,,,,,,,,
     247, 339.093268,  4.7394, 1228331.95,  338.7147,  339,   0, -11, 285,  70, 3.0,,O11 ,,C,12,H,19,,,O,11,,,,,,,,,,,,,,,,,
     248, 367.124558,  0.8836, 1109918.02,  366.7147,  367,   0, -11, 285,  70, 3.0,,O11 ,,C,14,H,23,,,O,11,,,,,,,,,,,,,,,,,
     249, 463.326884,  4.7318,  295895.45,  462.8096,  463,   0, -13, 190,  71, 0.0,,,No Hit
     250, 519.156670,  4.5923,  763084.45,  518.5771,  519,   0, -13, 423,  72, 3.0,,O17 ,,C,18,H,31,,,O,17,,,,,,,,,,,,,,,,,
     251, 223.045948,  0.3137, 1818862.45,  222.7969,  223,   0,  -1, 203,  73, 2.0,,O8 ,,C,7,H,11,,,O,8,,,,,,,,,,,,,,,,,
     252, 237.061595,  3.5443, 1734990.80,  236.7969,  237,   0,  -1, 203,  73, 2.0,,O8 ,,C,8,H,13,,,O,8,,,,,,,,,,,,,,,,,
     253, 251.077240,  2.5206, 1644696.65,  250.7969,  251,   0,  -1, 203,  73, 2.0,,O8 ,,C,9,H,15,,,O,8,,,,,,,,,,,,,,,,,
     254, 433.280691,  2.3238,  938788.99,  432.7970,  433,   0,  -1, 203,  73, 2.0,,O8 ,,C,22,H,41,,,O,8,,,,,,,,,,,,,,,,,
     255, 447.296345,  0.4459,  913459.96,  446.7970,  447,   0,  -1, 203,  73, 2.0,,O8 ,,C,23,H,43,,,O,8,,,,,,,,,,,,,,,,,
     256, 461.311987,  4.5680,  882696.09,  460.7970,  461,   0,  -1, 203,  73, 2.0,,O8 ,,C,24,H,45,,,O,8,,,,,,,,,,,,,,,,,
     257, 795.241307,  0.2506,  546007.71,  794.3535,  795,   0,  -4,-353,  74, 6.0,,O25 ,*, C,29,H,47,,,O,25,,,,,,,,,,,,,,,,,
     258, 809.256993,  4.5481,  550753.51,  808.3535,  809,   0,  -4,-353,  74, 6.0,,O25 ,*, C,30,H,49,,,O,25,,,,,,,,,,,,,,,,,
     259, 205.014259,  0.2063, 1966159.53,  204.7854,  205,   0,  -5, 215,  75, 8.0,,O5 ,,C,10,H,5,,,O,5,,,,,,,,,,,,,,,,,
     260, 219.029907,  0.5831, 1829764.23,  218.7854,  219,   0,  -5, 215,  75, 8.0,,O5 ,,C,11,H,7,,,O,5,,,,,,,,,,,,,,,,,
     261, 233.045553,  4.4226, 1738971.77,  232.7854,  233,   0,  -5, 215,  75, 8.0,,O5 ,,C,12,H,9,,,O,5,,,,,,,,,,,,,,,,,
     262, 261.076843,  0.5535, 1613043.32,  260.7854,  261,   0,  -5, 215,  75, 8.0,,O5 ,,C,14,H,13,,,O,5,,,,,,,,,,,,,,,,,
     263, 275.092496,  0.3884, 1533201.53,  274.7854,  275,   0,  -5, 215,  75, 8.0,,O5 ,,C,15,H,15,,,O,5,,,,,,,,,,,,,,,,,
     264, 289.108145,  0.3299, 1469626.06,  288.7854,  289,   0,  -5, 215,  75, 8.0,,O5 ,,C,16,H,17,,,O,5,,,,,,,,,,,,,,,,,
     265, 349.077610,  0.3182, 1186296.18,  348.6879,  349,   0,  -1, 312,  76, 5.0,,O11 ,,C,13,H,17,,,O,11,,,,,,,,,,,,,,,,,
     266, 363.093258,  4.3944, 1128665.72,  362.6879,  363,   0,  -1, 312,  76, 5.0,,O11 ,,C,14,H,19,,,O,11,,,,,,,,,,,,,,,,,
     267, 391.124564,  1.0855, 1010865.52,  390.6879,  391,   0,  -1, 312,  76, 5.0,,O11 ,,C,16,H,23,,,O,11,,,,,,,,,,,,,,,,,
     268, 405.140218,  1.1423, 1011620.61,  404.6879,  405,   0,  -1, 312,  76, 5.0,,O11 ,,C,17,H,25,,,O,11,,,,,,,,,,,,,,,,,
     269, 255.072153,  4.3447, 1655570.14,  254.7874,  255,   0, -11, 213,  77, 1.0,,O9 ,,C,8,H,15,,,O,9,,,,,,,,,,,,,,,,,
     270, 307.067063,  0.2879, 1381747.68,  306.7242,  307,   0,  -1, 276,  78, 4.0,,O10 ,,C,11,H,15,,,O,10,,,,,,,,,,,,,,,,,
     271, 321.082713,  3.3639, 1312274.25,  320.7242,  321,   0,  -1, 276,  78, 4.0,,O10 ,,C,12,H,17,,,O,10,,,,,,,,,,,,,,,,,
     272, 335.098355,  1.5628, 1255853.08,  334.7242,  335,   0,  -1, 276,  78, 4.0,,O10 ,,C,13,H,19,,,O,10,,,,,,,,,,,,,,,,,
     273, 349.113998,  1.1553, 1208070.87,  348.7242,  349,   0,  -1, 276,  78, 4.0,,O10 ,,C,14,H,21,,,O,10,,,,,,,,,,,,,,,,,
     274, 363.129643,  0.3097, 1062202.77,  362.7242,  363,   0,  -1, 276,  78, 4.0,,O10 ,,C,15,H,23,,,O,10,,,,,,,,,,,,,,,,,
     275, 377.145295,  4.3357, 1079973.79,  376.7242,  377,   0,  -1, 276,  78, 4.0,,O10 ,,C,16,H,25,,,O,10,,,,,,,,,,,,,,,,,
     276, 331.045920,  0.2681, 1242740.69,  330.6763,  331,   0,  -5, 324,  79,11.0,,O8 ,,C,16,H,11,,,O,8,,,,,,,,,,,,,,,,,
     277, 345.061568,  0.7967, 1214437.72,  344.6763,  345,   0,  -5, 324,  79,11.0,,O8 ,,C,17,H,13,,,O,8,,,,,,,,,,,,,,,,,
     278, 359.077216,  4.1614, 1149443.55,  358.6763,  359,   0,  -5, 324,  79,11.0,,O8 ,,C,18,H,15,,,O,8,,,,,,,,,,,,,,,,,
     279, 387.108524,  0.5532, 1037009.39,  386.6763,  387,   0,  -5, 324,  79,11.0,,O8 ,,C,20,H,19,,,O,8,,,,,,,,,,,,,,,,,
     280, 401.124168,  0.3052,  975807.06,  400.6763,  401,   0,  -5, 324,  79,11.0,,O8 ,,C,21,H,21,,,O,8,,,,,,,,,,,,,,,,,
     281, 289.056504,  0.3143, 1426869.33,  288.7338,  289,   0,  -5, 266,  80, 5.0,,O9 ,,C,11,H,13,,,O,9,,,,,,,,,,,,,,,,,
     282, 303.072153,  4.1035, 1384618.51,  302.7338,  303,   0,  -5, 266,  80, 5.0,,O9 ,,C,12,H,15,,,O,9,,,,,,,,,,,,,,,,,
     283, 331.103437,  0.6545, 1230328.07,  330.7338,  331,   0,  -5, 266,  80, 5.0,,O9 ,,C,14,H,19,,,O,9,,,,,,,,,,,,,,,,,
     284, 345.119083,  0.2871, 1253197.04,  344.7338,  345,   0,  -5, 266,  80, 5.0,,O9 ,,C,15,H,21,,,O,9,,,,,,,,,,,,,,,,,
     285, 359.134729,  0.3486, 1154336.56,  358.7338,  359,   0,  -5, 266,  80, 5.0,,O9 ,,C,16,H,23,,,O,9,,,,,,,,,,,,,,,,,
     286, 337.077617,  1.3097, 1265661.05,  336.7013,  337,   0, -13, 299,  81, 4.0,,O11 ,,C,12,H,17,,,O,11,,,,,,,,,,,,,,,,,
     287, 351.093262,  2.8356, 1183197.83,  350.7013,  351,   0, -13, 299,  81, 4.0,,O11 ,,C,13,H,19,,,O,11,,,,,,,,,,,,,,,,,
     288, 365.108910,  2.3699, 1114804.47,  364.7013,  365,   0, -13, 299,  81, 4.0,,O11 ,,C,14,H,21,,,O,11,,,,,,,,,,,,,,,,,
     289, 379.124559,  0.8355, 1043785.64,  378.7013,  379,   0, -13, 299,  81, 4.0,,O11 ,,C,15,H,23,,,O,11,,,,,,,,,,,,,,,,,
     290, 393.140210,  4.0570, 1037034.92,  392.7013,  393,   0, -13, 299,  81, 4.0,,O11 ,,C,16,H,25,,,O,11,,,,,,,,,,,,,,,,,
     291, 561.328018,  0.2743,  683727.64,  560.7013,  561,   0, -13, 299,  81, 4.0,,O11 ,,C,28,H,49,,,O,11,,,,,,,,,,,,,,,,,
     292, 589.359405,  0.2788,  635960.72,  588.7014,  589,   0, -13, 299,  81, 4.0,,O11 ,,C,30,H,53,,,O,11,,,,,,,,,,,,,,,,,
     293, 603.374948,  0.1604,  665171.75,  602.7013,  603,   0, -13, 299,  81, 4.0,,O11 ,,C,31,H,55,,,O,11,,,,,,,,,,,,,,,,,
     294, 873.273116,  3.8467,  517176.44,  872.2981,  873,   0, -10,-298,  82, 5.0,,O28 ,*, C,31,H,53,,,O,28,,,,,,,,,,,,,,,,,
     295, 887.288770,  4.0330,  506331.41,  886.2982,  887,   0, -10,-298,  82, 5.0,,O28 ,*, C,32,H,55,,,O,28,,,,,,,,,,,,,,,,,
     296, 295.102527,  4.0004, 1283053.18,  294.7731,  295,   0, -13, 227,  83, 0.0,,,No Hit
     297, 413.130046,  3.9444, 1017014.90,  412.6688,  413,   0,  -7, 331,  84, 3.0,,O13 ,,C,15,H,25,,,O,13,,,,,,,,,,,,,,,,,
     298, 447.135525,  3.9330,  928599.09,  446.6363,  447,   0,  -1, 364,  85, 2.0,,O15 ,,C,15,H,27,,,O,15,,,,,,,,,,,,,,,,,
     299, 475.166823,  0.4664,  875384.42,  474.6363,  475,   0,  -1, 364,  85, 2.0,,O15 ,,C,17,H,31,,,O,15,,,,,,,,,,,,,,,,,
     300, 455.101777,  3.8996,  902689.42,  454.5937,  455,   0,  -7, 406,  86, 9.0,,O10 S1 ,,C,20,H,23,,,O,10,S,1,,,,,,,,,,,,,,,
     301, 217.035382,  0.1454, 1699015.75,  216.7931,  217,   0,  -7, 207,  87, 4.0,,O7 ,,C,8,H,9,,,O,7,,,,,,,,,,,,,,,,,
     302, 231.051032,  0.4914, 1817363.53,  230.7931,  231,   0,  -7, 207,  87, 4.0,,O7 ,,C,9,H,11,,,O,7,,,,,,,,,,,,,,,,,
     303, 245.066678,  0.4483, 1725725.58,  244.7931,  245,   0,  -7, 207,  87, 4.0,,O7 ,,C,10,H,13,,,O,7,,,,,,,,,,,,,,,,,
     304, 259.082324,  3.8894, 1621391.55,  258.7931,  259,   0,  -7, 207,  87, 4.0,,O7 ,,C,11,H,15,,,O,7,,,,,,,,,,,,,,,,,
     305, 307.045943,  0.2477, 1344654.21,  306.7031,  307,   0,  -1, 297,  88, 9.0,,O8 ,,C,14,H,11,,,O,8,,,,,,,,,,,,,,,,,
     306, 321.061588,  0.5190, 1303177.43,  320.7031,  321,   0,  -1, 297,  88, 9.0,,O8 ,,C,15,H,13,,,O,8,,,,,,,,,,,,,,,,,
     307, 335.077224,  1.3862, 1257004.79,  334.7031,  335,   0,  -1, 297,  88, 9.0,,O8 ,,C,16,H,15,,,O,8,,,,,,,,,,,,,,,,,
     308, 349.092869,  3.8651, 1195723.40,  348.7031,  349,   0,  -1, 297,  88, 9.0,,O8 ,,C,17,H,17,,,O,8,,,,,,,,,,,,,,,,,
     309, 377.124166,  0.2676, 1087062.20,  376.7031,  377,   0,  -1, 297,  88, 9.0,,O8 ,,C,19,H,21,,,O,8,,,,,,,,,,,,,,,,,
     310, 579.177816,  3.8629,  684887.05,  578.5312,  579,   0,  -9, 469,  89, 3.0,,O19 ,,C,20,H,35,,,O,19,,,,,,,,,,,,,,,,,
     311, 719.334386,  0.1958,  258430.98,  718.5313,  719,   0,  -9, 469,  89, 3.0,,O19 ,,C,30,H,55,,,O,19,,,,,,,,,,,,,,,,,
     312, 579.156703,  0.3774,  665527.47,  578.5101,  579,   0,  -9, 490,  90, 8.0,,O17 ,,C,23,H,31,,,O,17,,,,,,,,,,,,,,,,,
     313, 593.172340,  3.7985,  686132.76,  592.5101,  593,   0,  -9, 490,  90, 8.0,,O17 ,,C,24,H,33,,,O,17,,,,,,,,,,,,,,,,,
     314, 301.056505,  0.6558, 1407718.56,  300.7204,  301,   0,  -7, 280,  91, 6.0,,O9 ,,C,12,H,13,,,O,9,,,,,,,,,,,,,,,,,
     315, 315.072149,  2.5264, 1339994.60,  314.7204,  315,   0,  -7, 280,  91, 6.0,,O9 ,,C,13,H,15,,,O,9,,,,,,,,,,,,,,,,,
     316, 329.087794,  3.7224, 1277144.71,  328.7204,  329,   0,  -7, 280,  91, 6.0,,O9 ,,C,14,H,17,,,O,9,,,,,,,,,,,,,,,,,
     317, 357.119078,  1.8788, 1152450.31,  356.7204,  357,   0,  -7, 280,  91, 6.0,,O9 ,,C,16,H,21,,,O,9,,,,,,,,,,,,,,,,,
     318, 371.134729,  0.2583, 1079313.82,  370.7204,  371,   0,  -7, 280,  91, 6.0,,O9 ,,C,17,H,23,,,O,9,,,,,,,,,,,,,,,,,
     319, 525.306933,  1.6114,  753235.09,  524.7205,  525,   0,  -7, 280,  91, 6.0,,O9 ,,C,28,H,45,,,O,9,,,,,,,,,,,,,,,,,
     320, 553.338238,  1.7153,  719428.26,  552.7205,  553,   0,  -7, 280,  91, 6.0,,O9 ,,C,30,H,49,,,O,9,,,,,,,,,,,,,,,,,
     321, 195.029916,  0.2358, 2055567.18,  194.8122,  195,   0,  -1, 188,  92, 6.0,,O5 ,,C,9,H,7,,,O,5,,,,,,,,,,,,,,,,,
     322, 209.045560,  0.7448, 1964933.50,  208.8122,  209,   0,  -1, 188,  92, 6.0,,O5 ,,C,10,H,9,,,O,5,,,,,,,,,,,,,,,,,
     323, 223.061206,  3.7154, 1831871.64,  222.8122,  223,   0,  -1, 188,  92, 6.0,,O5 ,,C,11,H,11,,,O,5,,,,,,,,,,,,,,,,,
     324, 251.092498,  0.1325, 1761900.16,  250.8122,  251,   0,  -1, 188,  92, 6.0,,O5 ,,C,13,H,15,,,O,5,,,,,,,,,,,,,,,,,
     325, 989.320539,  3.7111,  447409.08,  988.2160,  989,   0,  -6,-216,  93, 6.0,,O31 ,*, C,36,H,61,,,O,31,,,,,,,,,,,,,,,,,
     326, 679.193941,  0.1754,  585991.19,  678.4357,  679,   0,  -8,-436,  94, 5.0,,O22 ,*, C,24,H,39,,,O,22,,,,,,,,,,,,,,,,,
     327, 693.209578,  3.5809,  595136.02,  692.4356,  693,   0,  -8,-436,  94, 5.0,,O22 ,*, C,25,H,41,,,O,22,,,,,,,,,,,,,,,,,
     328, 707.225232,  3.5427,  600732.83,  706.4356,  707,   0,  -8,-436,  95, 5.0,,O22 ,*, C,26,H,43,,,O,22,,,,,,,,,,,,,,,,,
     329, 777.230751,  0.3992,  559572.89,  776.3630,  777,   0,  -8,-363,  96, 7.0,,O24 ,*, C,29,H,45,,,O,24,,,,,,,,,,,,,,,,,
     330, 791.246423,  3.5234,  567783.14,  790.3630,  791,   0,  -8,-363,  96, 7.0,,O24 ,*, C,30,H,47,,,O,24,,,,,,,,,,,,,,,,,
     331, 377.108910,  3.5180, 1087943.78,  376.6879,  377,   0,  -1, 312,  97, 5.0,,O11 ,,C,15,H,21,,,O,11,,,,,,,,,,,,,,,,,
     332, 643.172757,  0.2533,  682481.23,  642.4547,  643,   0,  -2,-455,  98, 7.0,,O20 ,*, C,24,H,35,,,O,20,,,,,,,,,,,,,,,,,
     333, 657.188413,  3.4992,  637323.17,  656.4547,  657,   0,  -2,-455,  98, 7.0,,O20 ,*, C,25,H,37,,,O,20,,,,,,,,,,,,,,,,,
     334, 699.235352,  0.2359,  594599.05,  698.4547,  699,   0,  -2,-455,  98, 7.0,,O20 ,*, C,28,H,43,,,O,20,,,,,,,,,,,,,,,,,
     335, 895.454654,  0.2052,  507076.74,  894.4549,  895,   0,  -2,-455,  98, 7.0,,O20 ,*, C,42,H,71,,,O,20,,,,,,,,,,,,,,,,,
     336, 483.114392,  0.3088,  795930.99,  482.5750,  483,   0,  -7, 425,  99,10.0,,O13 ,*, C,21,H,23,,,O,13,,,,,,,,,,,,,,,,,
     337, 497.130036,  0.4855,  828076.53,  496.5750,  497,   0,  -7, 425,  99,10.0,,O13 ,*, C,22,H,25,,,O,13,,,,,,,,,,,,,,,,,
     338, 511.145699,  3.4780,  775734.22,  510.5750,  511,   0,  -7, 425,  99,10.0,,O13 ,*, C,23,H,27,,,O,13,,,,,,,,,,,,,,,,,
     339, 271.024814,  0.1904, 1531790.63,  270.7222,  271,   0,  -9, 278, 100,11.0,,O6 ,,C,14,H,7,,,O,6,,,,,,,,,,,,,,,,,
     340, 285.040461,  0.6853, 1457214.47,  284.7222,  285,   0,  -9, 278, 100,11.0,,O6 ,,C,15,H,9,,,O,6,,,,,,,,,,,,,,,,,
     341, 299.056109,  1.2041, 1396016.92,  298.7222,  299,   0,  -9, 278, 100,11.0,,O6 ,,C,16,H,11,,,O,6,,,,,,,,,,,,,,,,,
     342, 313.071756,  3.4431, 1343254.13,  312.7222,  313,   0,  -9, 278, 100,11.0,,O6 ,,C,17,H,13,,,O,6,,,,,,,,,,,,,,,,,
     343, 341.103042,  0.4579, 1232942.58,  340.7222,  341,   0,  -9, 278, 100,11.0,,O6 ,,C,19,H,17,,,O,6,,,,,,,,,,,,,,,,,
     344, 355.118686,  0.2447, 1162001.35,  354.7222,  355,   0,  -9, 278, 100,11.0,,O6 ,,C,20,H,19,,,O,6,,,,,,,,,,,,,,,,,
     345, 503.160737,  3.3749, 1117228.71,  502.5990,  503,   0,  -1, 401, 101, 0.0,,,No Hit
     346, 269.087799,  3.3536, 1574314.77,  268.7874,  269,   0, -11, 213, 102, 1.0,,O9 ,,C,9,H,17,,,O,9,,,,,,,,,,,,,,,,,
     347, 671.204075,  3.3284,  627914.10,  670.4547,  671,   0,  -2,-455, 103, 7.0,,O20 ,*, C,26,H,39,,,O,20,,,,,,,,,,,,,,,,,
     348, 413.093649,  0.3626,  987176.54,  412.6324,  413,   0,  -7, 368, 104, 4.0,,O14 ,,C,14,H,21,,,O,14,,,,,,,,,,,,,,,,,
     349, 427.109308,  0.4200,  947632.24,  426.6325,  427,   0,  -7, 368, 104, 4.0,,O14 ,,C,15,H,23,,,O,14,,,,,,,,,,,,,,,,,
     350, 441.124955,  0.8349,  940719.72,  440.6325,  441,   0,  -7, 368, 104, 4.0,,O14 ,,C,16,H,25,,,O,14,,,,,,,,,,,,,,,,,
     351, 455.140613,  3.3246,  915387.44,  454.6325,  455,   0,  -7, 368, 104, 4.0,,O14 ,,C,17,H,27,,,O,14,,,,,,,,,,,,,,,,,
     352, 483.171917,  0.5930,  831398.04,  482.6325,  483,   0,  -7, 368, 104, 4.0,,O14 ,,C,19,H,31,,,O,14,,,,,,,,,,,,,,,,,
     353, 337.114004,  3.3156, 1242815.19,  336.7376,  337,   0, -13, 262, 105, 3.0,,O10 ,,C,13,H,21,,,O,10,,,,,,,,,,,,,,,,,
     354, 995.849301,  0.3068,  114319.41,  994.7375,  995,   0, -13, 263, 105, 3.0,,O10 ,,C,60,H,115,,,O,10,,,,,,,,,,,,,,,,,
     355, 701.191351,  3.2409,  598393.90,  700.4085,  701,   0, -14,-409, 106,43.0,,O1 ,,C,55,H,25,,,O,1,,,,,,,,,,,,,,,,,
     356, 341.107609,  3.1655, 1142975.27,  340.7268,  341,   0,  -9, 273, 107, 0.0,,,No Hit
     357, 759.220129,  0.2356,  534212.12,  758.3725,  759,   0, -12,-372, 108, 8.0,,O23 ,*, C,29,H,43,,,O,23,,,,,,,,,,,,,,,,,
     358, 773.235852,  3.1518,  590574.57,  772.3726,  773,   0, -12,-373, 108, 8.0,,O23 ,*, C,30,H,45,,,O,23,,,,,,,,,,,,,,,,,
     359, 349.056498,  0.2411, 1164284.36,  348.6668,  349,   0,  -1, 333, 109,10.0,,O9 ,,C,16,H,13,,,O,9,,,,,,,,,,,,,,,,,
     360, 363.072129,  0.7649, 1124781.58,  362.6668,  363,   0,  -1, 333, 109,10.0,,O9 ,,C,17,H,15,,,O,9,,,,,,,,,,,,,,,,,
     361, 377.087779,  3.0539, 1071530.43,  376.6668,  377,   0,  -1, 333, 109,10.0,,O9 ,,C,18,H,17,,,O,9,,,,,,,,,,,,,,,,,
     362, 405.119083,  0.3700,  991274.28,  404.6668,  405,   0,  -1, 333, 109,10.0,,O9 ,,C,20,H,21,,,O,9,,,,,,,,,,,,,,,,,
     363, 419.134741,  0.2852, 1014613.80,  418.6668,  419,   0,  -1, 333, 109,10.0,,O9 ,,C,21,H,23,,,O,9,,,,,,,,,,,,,,,,,
     364, 269.051410,  0.2138, 1624753.67,  268.7510,  269,   0, -11, 249, 110, 2.0,,O10 ,,C,8,H,13,,,O,10,,,,,,,,,,,,,,,,,
     365, 283.067067,  0.4017, 1446856.26,  282.7510,  283,   0, -11, 249, 110, 2.0,,O10 ,,C,9,H,15,,,O,10,,,,,,,,,,,,,,,,,
     366, 297.082714,  1.1428, 1421740.58,  296.7510,  297,   0, -11, 249, 110, 2.0,,O10 ,,C,10,H,17,,,O,10,,,,,,,,,,,,,,,,,
     367, 311.098365,  2.9569, 1336838.45,  310.7510,  311,   0, -11, 249, 110, 2.0,,O10 ,,C,11,H,19,,,O,10,,,,,,,,,,,,,,,,,
     368, 381.082690,  0.7764, 1083571.35,  380.6572,  381,   0, -11, 343, 111, 9.0,,O10 ,,C,17,H,17,,,O,10,,,,,,,,,,,,,,,,,
     369, 395.098347,  2.9494, 1037570.10,  394.6572,  395,   0, -11, 343, 111, 9.0,,O10 ,,C,18,H,19,,,O,10,,,,,,,,,,,,,,,,,
     370, 423.129656,  0.3774,  993700.87,  422.6573,  423,   0, -11, 343, 111, 9.0,,O10 ,,C,20,H,23,,,O,10,,,,,,,,,,,,,,,,,
     371,1007.331176,  2.8145,  445666.61, 1006.2065, 1007,   0,  -2,-207, 112, 5.0,,O32 ,*, C,36,H,63,,,O,32,,,,,,,,,,,,,,,,,
     372, 339.199931,  2.8130, 1214591.56,  338.8212,  339,   0, -11, 179, 113, 4.0,,O3 S1 ,,C,19,H,31,,,O,3,S,1,,,,,,,,,,,,,,,
     373, 307.103451,  2.7849, 1365242.67,  306.7606,  307,   0,  -1, 239, 114, 3.0,,O9 ,,C,12,H,19,,,O,9,,,,,,,,,,,,,,,,,
     374, 561.146104,  0.6244,  700783.16,  560.5196,  561,   0, -13, 480, 115, 9.0,,O16 ,,C,23,H,29,,,O,16,,,,,,,,,,,,,,,,,
     375, 575.161768,  2.7823,  694017.60,  574.5196,  575,   0, -13, 480, 115, 9.0,,O16 ,,C,24,H,31,,,O,16,,,,,,,,,,,,,,,,,
     376, 485.106724,  2.7760,  827289.94,  484.5651,  485,   0,  -5, 435, 116, 0.0,,,No Hit
     377, 259.024805,  0.3190, 1676659.09,  258.7356,  259,   0,  -7, 264, 117,10.0,,O6 ,,C,13,H,7,,,O,6,,,,,,,,,,,,,,,,,
     378, 273.040456,  0.4388, 1525399.24,  272.7356,  273,   0,  -7, 264, 117,10.0,,O6 ,,C,14,H,9,,,O,6,,,,,,,,,,,,,,,,,
     379, 287.056110,  1.1773, 1471088.15,  286.7356,  287,   0,  -7, 264, 117,10.0,,O6 ,,C,15,H,11,,,O,6,,,,,,,,,,,,,,,,,
     380, 301.071757,  1.7372, 1397432.66,  300.7356,  301,   0,  -7, 264, 117,10.0,,O6 ,,C,16,H,13,,,O,6,,,,,,,,,,,,,,,,,
     381, 315.087405,  2.7732, 1326196.91,  314.7356,  315,   0,  -7, 264, 117,10.0,,O6 ,,C,17,H,15,,,O,6,,,,,,,,,,,,,,,,,
     382, 987.838835,  0.1960,  482622.30,  986.7360,  987,   0,  -7, 264, 117,10.0,,O6 ,,C,65,H,111,,,O,6,,,,,,,,,,,,,,,,,
     383, 685.183294,  0.1836,  584217.33,  684.4183,  685,   0,  -2,-418, 118, 8.0,,O21 ,,C,26,H,37,,,O,21,,,,,,,,,,,,,,,,,
     384, 699.199014,  0.4892,  587243.55,  698.4184,  699,   0,  -2,-418, 118, 8.0,,O21 ,,C,27,H,39,,,O,21,,,,,,,,,,,,,,,,,
     385, 713.214653,  0.2269,  591823.90,  712.4184,  713,   0,  -2,-418, 118, 8.0,,O21 ,,C,28,H,41,,,O,21,,,,,,,,,,,,,,,,,
     386, 727.230345,  2.7652,  614345.27,  726.4184,  727,   0,  -2,-418, 118, 8.0,,O21 ,,C,29,H,43,,,O,21,,,,,,,,,,,,,,,,,
     387, 177.019357,  0.1085, 2393195.32,  176.8217,  177,   0,  -5, 178, 119, 7.0,,O4 ,,C,9,H,5,,,O,4,,,,,,,,,,,,,,,,,
     388, 191.035002,  0.6623, 2124920.85,  190.8217,  191,   0,  -5, 178, 119, 7.0,,O4 ,,C,10,H,7,,,O,4,,,,,,,,,,,,,,,,,
     389, 205.050647,  2.6956, 1991980.07,  204.8217,  205,   0,  -5, 178, 119, 7.0,,O4 ,,C,11,H,9,,,O,4,,,,,,,,,,,,,,,,,
     390, 233.081938,  0.1797, 1756701.06,  232.8217,  233,   0,  -5, 178, 119, 7.0,,O4 ,,C,13,H,13,,,O,4,,,,,,,,,,,,,,,,,
     391, 521.127870,  2.6875,  773560.85,  520.5461,  521,   0, -11, 454, 120, 0.0,,,No Hit
     392,1039.706808,  0.2130,  353963.22, 1038.5460, 1039,   0, -11, 454, 120, 0.0,,,No Hit
     393, 323.097209,  2.6793, 1197803.18,  322.7365,  323,   0, -13, 264, 121, 0.0,,,No Hit
     394, 361.072072,  2.6773, 1112002.01,  360.6690,  361,   0,  -3, 331, 122, 5.0,,N2 O3 S3 ,,C,14,H,21,N,2,O,3,S,3,,,,,,,,,,,,,,,
     395, 541.135487,  2.6713,  743509.64,  540.5313,  541,   0,  -5, 469, 123, 5.0,,N2 O9 S3 ,,C,20,H,33,N,2,O,9,S,3,,,,,,,,,,,,,,,
     396, 277.035371,  0.1899, 1457973.87,  276.7261,  277,   0,  -3, 274, 124, 9.0,,O7 ,,C,13,H,9,,,O,7,,,,,,,,,,,,,,,,,
     397, 291.051026,  0.4559, 1421106.90,  290.7261,  291,   0,  -3, 274, 124, 9.0,,O7 ,,C,14,H,11,,,O,7,,,,,,,,,,,,,,,,,
     398, 305.066673,  1.1416, 1360036.85,  304.7261,  305,   0,  -3, 274, 124, 9.0,,O7 ,,C,15,H,13,,,O,7,,,,,,,,,,,,,,,,,
     399, 319.082320,  1.6990, 1323801.33,  318.7261,  319,   0,  -3, 274, 124, 9.0,,O7 ,,C,16,H,15,,,O,7,,,,,,,,,,,,,,,,,
     400, 333.097961,  2.6597, 1269557.84,  332.7261,  333,   0,  -3, 274, 124, 9.0,,O7 ,,C,17,H,17,,,O,7,,,,,,,,,,,,,,,,,
     401, 293.048970,  2.6387, 1428647.05,  292.7218,  293,   0,  -1, 278, 125, 8.0,,O5 S1 ,,C,14,H,13,,,O,5,S,1,,,,,,,,,,,,,,,
     402, 457.153711,  2.6119,  858568.47,  456.6433,  457,   0,  -5, 357, 126, 7.0,,O9 S1 ,,C,21,H,29,,,O,9,S,1,,,,,,,,,,,,,,,
     403, 465.124966,  2.5957,  880243.57,  464.6057,  465,   0, -11, 394, 127, 6.0,,O14 ,,C,18,H,25,,,O,14,,,,,,,,,,,,,,,,,
     404, 493.156233,  0.3432,  838794.48,  492.6056,  493,   0, -11, 394, 127, 6.0,,O14 ,,C,20,H,29,,,O,14,,,,,,,,,,,,,,,,,
     405, 521.187577,  0.3657,  762824.76,  520.6057,  521,   0, -11, 394, 127, 6.0,,O14 ,,C,22,H,33,,,O,14,,,,,,,,,,,,,,,,,
     406, 485.150308,  2.5903,  282378.82,  484.6087,  485,   0,  -5, 391, 128, 0.0,,,No Hit
     407, 301.035374,  0.3246, 1396091.69,  300.6993,  301,   0,  -7, 301, 129,11.0,,O7 ,,C,15,H,9,,,O,7,,,,,,,,,,,,,,,,,
     408, 315.051018,  0.7089, 1327075.34,  314.6993,  315,   0,  -7, 301, 129,11.0,,O7 ,,C,16,H,11,,,O,7,,,,,,,,,,,,,,,,,
     409, 329.066664,  2.5561, 1278253.74,  328.6993,  329,   0,  -7, 301, 129,11.0,,O7 ,,C,17,H,13,,,O,7,,,,,,,,,,,,,,,,,
     410, 357.097951,  0.6812, 1153008.60,  356.6993,  357,   0,  -7, 301, 129,11.0,,O7 ,,C,19,H,17,,,O,7,,,,,,,,,,,,,,,,,
     411, 371.113600,  0.4208, 1149015.85,  370.6993,  371,   0,  -7, 301, 129,11.0,,O7 ,,C,20,H,19,,,O,7,,,,,,,,,,,,,,,,,
     412, 385.129256,  0.3147, 1121401.59,  384.6993,  385,   0,  -7, 301, 129,11.0,,O7 ,,C,21,H,21,,,O,7,,,,,,,,,,,,,,,,,
     413, 377.005235,  0.8166, 1088970.50,  376.5843,  377,   0,  -1, 416, 130,17.0,,N2 O8 ,,C,18,H,5,N,2,O,8,,,,,,,,,,,,,,,,,
     414, 391.020886,  2.5188, 1059809.83,  390.5843,  391,   0,  -1, 416, 130,17.0,,N2 O8 ,,C,19,H,7,N,2,O,8,,,,,,,,,,,,,,,,,
     415, 353.108911,  2.4348, 1171785.15,  352.7147,  353,   0, -11, 285, 131, 3.0,,O11 ,,C,13,H,21,,,O,11,,,,,,,,,,,,,,,,,
     416, 537.167231,  2.4045,  740915.28,  536.5675,  537,   0,  -9, 432, 132, 2.0,,O18 ,,C,18,H,33,,,O,18,,,,,,,,,,,,,,,,,
     417, 721.204516,  0.2348,  643130.97,  720.3993,  721,   0,  -8,-399, 133, 6.0,,O23 ,*, C,26,H,41,,,O,23,,,,,,,,,,,,,,,,,
     418, 735.220155,  0.7122,  601494.37,  734.3993,  735,   0,  -8,-399, 133, 6.0,,O23 ,*, C,27,H,43,,,O,23,,,,,,,,,,,,,,,,,
     419, 749.235784,  0.2679,  611524.93,  748.3993,  749,   0,  -8,-399, 133, 6.0,,O23 ,*, C,28,H,45,,,O,23,,,,,,,,,,,,,,,,,
     420, 763.251477,  2.3938,  582626.63,  762.3993,  763,   0,  -8,-399, 133, 6.0,,O23 ,*, C,29,H,47,,,O,23,,,,,,,,,,,,,,,,,
     421, 325.050959,  2.3800, 1298740.05,  324.6881,  325,   0, -11, 312, 134, 7.0,,N2 O1 S3 ,,C,14,H,17,N,2,O,1,S,3,,,,,,,,,,,,,,,
     422,1011.818000,  0.1531,  229662.26, 1010.6884, 1011,   0, -11, 312, 134, 7.0,,N2 O1 S3 ,,C,63,H,115,N,2,O,1,S,3,,,,,,,,,,,,,,,
     423, 431.104218,  1.5628,  966047.54,  430.6229,  431,   0,  -3, 377, 135, 3.0,,O15 ,,C,14,H,23,,,O,15,,,,,,,,,,,,,,,,,
     424, 445.119873,  0.5725,  940938.32,  444.6229,  445,   0,  -3, 377, 135, 3.0,,O15 ,,C,15,H,25,,,O,15,,,,,,,,,,,,,,,,,
     425, 459.135522,  1.3934,  886556.59,  458.6229,  459,   0,  -3, 377, 135, 3.0,,O15 ,,C,16,H,27,,,O,15,,,,,,,,,,,,,,,,,
     426, 473.151178,  2.3487,  860498.01,  472.6229,  473,   0,  -3, 377, 135, 3.0,,O15 ,,C,17,H,29,,,O,15,,,,,,,,,,,,,,,,,
     427, 421.065729,  2.3482,  995121.15,  420.5956,  421,   0, -13, 404, 136,29.0,,O1 ,*, C,33,H,9,,,O,1,,,,,,,,,,,,,,,,,
     428, 463.109305,  0.4605,  896083.43,  462.5923,  463,   0, -13, 408, 137, 7.0,,O14 ,,C,18,H,23,,,O,14,,,,,,,,,,,,,,,,,
     429, 477.124957,  2.3146,  862365.71,  476.5923,  477,   0, -13, 408, 137, 7.0,,O14 ,,C,19,H,25,,,O,14,,,,,,,,,,,,,,,,,
     430, 505.156245,  0.3588,  788347.54,  504.5923,  505,   0, -13, 408, 137, 7.0,,O14 ,,C,21,H,29,,,O,14,,,,,,,,,,,,,,,,,
     431, 519.171911,  0.6186,  749002.50,  518.5923,  519,   0, -13, 408, 137, 7.0,,O14 ,,C,22,H,31,,,O,14,,,,,,,,,,,,,,,,,
     432, 687.359830,  0.3544,  597748.54,  686.5924,  687,   0, -13, 408, 137, 7.0,,O14 ,,C,34,H,55,,,O,14,,,,,,,,,,,,,,,,,
     433, 715.391184,  0.3963,  603569.40,  714.5925,  715,   0, -13, 408, 137, 7.0,,O14 ,,C,36,H,59,,,O,14,,,,,,,,,,,,,,,,,
     434, 277.023486,  2.3046, 1521943.38,  276.7142,  277,   0,  -3, 286, 138, 0.0,,O10 S1 ,,C,6,H,13,,,O,10,S,1,,,,,,,,,,,,,,,
     435, 213.040473,  0.3940, 1906604.00,  212.8026,  213,   0, -11, 197, 139, 5.0,,O6 ,,C,9,H,9,,,O,6,,,,,,,,,,,,,,,,,
     436, 227.056120,  0.8097, 1762782.02,  226.8026,  227,   0, -11, 197, 139, 5.0,,O6 ,,C,10,H,11,,,O,6,,,,,,,,,,,,,,,,,
     437, 241.071765,  2.2887, 1700049.15,  240.8026,  241,   0, -11, 197, 139, 5.0,,O6 ,,C,11,H,13,,,O,6,,,,,,,,,,,,,,,,,
     438, 343.082305,  2.2804, 1213200.20,  342.6993,  343,   0,  -7, 301, 140,11.0,,O7 ,,C,18,H,15,,,O,7,,,,,,,,,,,,,,,,,
     439, 547.151593,  0.2572,  721933.43,  546.5407,  547,   0, -13, 459, 141, 4.0,,O18 ,,C,19,H,31,,,O,18,,,,,,,,,,,,,,,,,
     440, 561.167243,  2.2425,  710717.54,  560.5407,  561,   0, -13, 459, 141, 4.0,,O18 ,,C,20,H,33,,,O,18,,,,,,,,,,,,,,,,,
     441, 603.214219,  0.2719,  744362.89,  602.5408,  603,   0, -13, 459, 141, 4.0,,O18 ,,C,23,H,39,,,O,18,,,,,,,,,,,,,,,,,
     442, 330.999765,  2.2135, 1268163.15,  330.6302,  331,   0,  -5, 370, 142,17.0,,N2 O6 ,,C,17,H,3,N,2,O,6,,,,,,,,,,,,,,,,,
     443, 463.325027,  2.2057,  823867.43,  462.8077,  463,   0, -13, 192, 143, 5.0,,O3 S1 ,,C,28,H,47,,,O,3,S,1,,,,,,,,,,,,,,,
     444, 387.093260,  0.4900, 1084111.29,  386.6611,  387,   0,  -5, 339, 144, 7.0,,O11 ,,C,16,H,19,,,O,11,,,,,,,,,,,,,,,,,
     445, 401.108914,  2.2018, 1025228.64,  400.6611,  401,   0,  -5, 339, 144, 7.0,,O11 ,,C,17,H,21,,,O,11,,,,,,,,,,,,,,,,,
     446, 429.140206,  0.4508,  979225.64,  428.6611,  429,   0,  -5, 339, 144, 7.0,,O11 ,,C,19,H,25,,,O,11,,,,,,,,,,,,,,,,,
     447, 387.112643,  2.1865, 1000345.82,  386.6804,  387,   0,  -5, 320, 145, 5.0,,O3 S3 ,,C,18,H,27,,,O,3,S,3,,,,,,,,,,,,,,,
     448, 597.347353,  0.2753,  763538.75,  596.6804,  597,   0,  -5, 320, 145, 5.0,,O3 S3 ,,C,33,H,57,,,O,3,S,3,,,,,,,,,,,,,,,
     449, 339.051009,  2.1705, 1244959.64,  338.6725,  339,   0, -11, 328, 146,13.0,,O7 ,,C,18,H,11,,,O,7,,,,,,,,,,,,,,,,,
     450, 367.082296,  0.6225, 1081416.16,  366.6725,  367,   0, -11, 328, 146,13.0,,O7 ,,C,20,H,15,,,O,7,,,,,,,,,,,,,,,,,
     451, 381.097951,  0.6731, 1081107.06,  380.6725,  381,   0, -11, 328, 146,13.0,,O7 ,,C,21,H,17,,,O,7,,,,,,,,,,,,,,,,,
     452, 395.113606,  0.5934, 1077556.77,  394.6725,  395,   0, -11, 328, 146,13.0,,O7 ,,C,22,H,19,,,O,7,,,,,,,,,,,,,,,,,
     453, 333.061576,  0.7254, 1225375.56,  332.6897,  333,   0,  -3, 310, 147,10.0,,O8 ,,C,16,H,13,,,O,8,,,,,,,,,,,,,,,,,
     454, 347.077219,  2.1381, 1189377.29,  346.6897,  347,   0,  -3, 310, 147,10.0,,O8 ,,C,17,H,15,,,O,8,,,,,,,,,,,,,,,,,
     455, 375.108516,  0.5899, 1102049.64,  374.6897,  375,   0,  -3, 310, 147,10.0,,O8 ,,C,19,H,19,,,O,8,,,,,,,,,,,,,,,,,
     456, 389.124163,  0.3012, 1018102.31,  388.6897,  389,   0,  -3, 310, 147,10.0,,O8 ,,C,20,H,21,,,O,8,,,,,,,,,,,,,,,,,
     457, 483.135528,  2.1330,  835416.98,  482.5961,  483,   0,  -7, 404, 148, 5.0,,O15 ,,C,18,H,27,,,O,15,,,,,,,,,,,,,,,,,
     458, 511.166851,  0.4830,  778501.23,  510.5962,  511,   0,  -7, 404, 148, 5.0,,O15 ,,C,20,H,31,,,O,15,,,,,,,,,,,,,,,,,
     459, 539.198140,  0.8471,  764624.04,  538.5962,  539,   0,  -7, 404, 148, 5.0,,O15 ,,C,22,H,35,,,O,15,,,,,,,,,,,,,,,,,
     460, 343.113162,  2.1153, 1209843.25,  342.7301,  343,   0,  -7, 270, 149, 0.0,,,No Hit
     461, 729.230729,  2.0340,  600252.69,  728.4166,  729,   0, -14,-417, 150, 3.0,,O24 ,*, C,25,H,45,,,O,24,,,,,,,,,,,,,,,,,
     462, 743.246385,  2.1085,  587046.13,  742.4166,  743,   0, -14,-417, 150, 3.0,,O24 ,*, C,26,H,47,,,O,24,,,,,,,,,,,,,,,,,
     463, 491.140609,  2.0947,  819062.68,  490.5923,  491,   0, -13, 408, 151, 7.0,,O14 ,,C,20,H,27,,,O,14,,,,,,,,,,,,,,,,,
     464, 297.107698,  2.0772, 1420394.98,  296.7760,  297,   0, -11, 224, 152, 0.0,,,No Hit
     465, 501.124971,  0.3341,  803835.52,  500.5655,  501,   0,  -3, 435, 153, 9.0,,O14 ,,C,21,H,25,,,O,14,,,,,,,,,,,,,,,,,
     466, 515.140627,  0.4664,  769841.78,  514.5655,  515,   0,  -3, 435, 153, 9.0,,O14 ,,C,22,H,27,,,O,14,,,,,,,,,,,,,,,,,
     467, 529.156275,  2.0580,  759736.91,  528.5655,  529,   0,  -3, 435, 153, 9.0,,O14 ,,C,23,H,29,,,O,14,,,,,,,,,,,,,,,,,
     468, 391.088189,  0.2631, 1034786.37,  390.6516,  391,   0,  -1, 348, 154, 6.0,,O12 ,,C,15,H,19,,,O,12,,,,,,,,,,,,,,,,,
     469, 405.103828,  0.5488, 1067959.13,  404.6515,  405,   0,  -1, 348, 154, 6.0,,O12 ,,C,16,H,21,,,O,12,,,,,,,,,,,,,,,,,
     470, 419.119484,  2.0272,  982179.65,  418.6516,  419,   0,  -1, 348, 154, 6.0,,O12 ,,C,17,H,23,,,O,12,,,,,,,,,,,,,,,,,
     471, 503.158606,  2.0040,  782679.82,  502.5969,  503,   0,  -1, 403, 155,25.0,,N2 S1 ,,C,35,H,23,N,2,,,S,1,,,,,,,,,,,,,,,
     472, 525.146102,  1.9985,  761644.01,  524.5598,  525,   0,  -7, 440, 156, 6.0,,O16 ,,C,20,H,29,,,O,16,,,,,,,,,,,,,,,,,
     473, 553.177399,  0.3816,  716408.66,  552.5598,  553,   0,  -7, 440, 156, 6.0,,O16 ,,C,22,H,33,,,O,16,,,,,,,,,,,,,,,,,
     474, 567.193056,  0.5298,  715276.65,  566.5598,  567,   0,  -7, 440, 156, 6.0,,O16 ,,C,23,H,35,,,O,16,,,,,,,,,,,,,,,,,
     475, 901.268005,  0.2023,  499745.16,  900.2618,  901,   0, -10,-262, 157, 6.0,,O29 ,*, C,32,H,53,,,O,29,,,,,,,,,,,,,,,,,
     476, 915.283730,  0.5139,  503628.98,  914.2619,  915,   0, -10,-262, 157, 6.0,,O29 ,*, C,33,H,55,,,O,29,,,,,,,,,,,,,,,,,
     477, 929.299302,  0.2257,  478478.75,  928.2618,  929,   0, -10,-262, 157, 6.0,,O29 ,*, C,34,H,57,,,O,29,,,,,,,,,,,,,,,,,
     478, 943.315052,  1.9124,  474397.61,  942.2619,  943,   0, -10,-262, 157, 6.0,,O29 ,*, C,35,H,59,,,O,29,,,,,,,,,,,,,,,,,
     479, 405.124958,  0.9785, 1012706.62,  404.6727,  405,   0,  -1, 327, 158, 1.0,,O14 ,,C,13,H,25,,,O,14,,,,,,,,,,,,,,,,,
     480, 419.140610,  1.9109,  990317.42,  418.6727,  419,   0,  -1, 327, 158, 1.0,,O14 ,,C,14,H,27,,,O,14,,,,,,,,,,,,,,,,,
     481, 615.359805,  1.1886,  660175.09,  614.6728,  615,   0,  -1, 327, 158, 1.0,,O14 ,,C,28,H,55,,,O,14,,,,,,,,,,,,,,,,,
     482, 643.391111,  1.0528,  625573.61,  642.6728,  643,   0,  -1, 327, 158, 1.0,,O14 ,,C,30,H,59,,,O,14,,,,,,,,,,,,,,,,,
     483, 297.040462,  0.4108, 1431886.44,  296.7088,  297,   0, -11, 291, 159,12.0,,O6 ,,C,16,H,9,,,O,6,,,,,,,,,,,,,,,,,
     484, 311.056106,  1.7136, 1348724.17,  310.7088,  311,   0, -11, 291, 159,12.0,,O6 ,,C,17,H,11,,,O,6,,,,,,,,,,,,,,,,,
     485, 325.071751,  1.9056, 1305147.77,  324.7088,  325,   0, -11, 291, 159,12.0,,O6 ,,C,18,H,13,,,O,6,,,,,,,,,,,,,,,,,
     486, 353.103036,  0.4532, 1157362.78,  352.7088,  353,   0, -11, 291, 159,12.0,,O6 ,,C,20,H,17,,,O,6,,,,,,,,,,,,,,,,,
     487, 367.118693,  0.3303, 1114059.54,  366.7088,  367,   0, -11, 291, 159,12.0,,O6 ,,C,21,H,19,,,O,6,,,,,,,,,,,,,,,,,
     488, 301.238441,  0.2448, 1397757.58,  300.9021,  301,   0,  -7,  98, 160, 1.0,,O4 ,,C,17,H,33,,,O,4,,,,,,,,,,,,,,,,,
     489, 329.269727,  0.4830, 1248569.32,  328.9021,  329,   0,  -7,  98, 160, 1.0,,O4 ,,C,19,H,37,,,O,4,,,,,,,,,,,,,,,,,
     490, 511.473254,  0.7129,  775397.47,  510.9022,  511,   0,  -7,  98, 160, 1.0,,O4 ,,C,32,H,63,,,O,4,,,,,,,,,,,,,,,,,
     491, 539.504564,  1.8989,  736996.85,  538.9022,  539,   0,  -7,  98, 160, 1.0,,O4 ,,C,34,H,67,,,O,4,,,,,,,,,,,,,,,,,
     492, 567.535891,  1.3130,  710301.51,  566.9023,  567,   0,  -7,  98, 160, 1.0,,O4 ,,C,36,H,71,,,O,4,,,,,,,,,,,,,,,,,
     493, 499.130439,  0.5076,  795691.58,  498.5732,  499,   0,  -5, 427, 161, 5.0,,O16 ,,C,18,H,27,,,O,16,,,,,,,,,,,,,,,,,
     494, 513.146095,  1.8979,  771887.77,  512.5732,  513,   0,  -5, 427, 161, 5.0,,O16 ,,C,19,H,29,,,O,16,,,,,,,,,,,,,,,,,
     495, 541.177403,  0.4334,  684634.05,  540.5732,  541,   0,  -5, 427, 161, 5.0,,O16 ,,C,21,H,33,,,O,16,,,,,,,,,,,,,,,,,
     496, 555.193044,  1.0722,  738341.02,  554.5732,  555,   0,  -5, 427, 161, 5.0,,O16 ,,C,22,H,35,,,O,16,,,,,,,,,,,,,,,,,
     497, 723.381006,  0.6169,  552800.12,  722.5734,  723,   0,  -5, 427, 161, 5.0,,O16 ,,C,34,H,59,,,O,16,,,,,,,,,,,,,,,,,
     498, 751.412313,  0.6640,  551924.94,  750.5734,  751,   0,  -5, 427, 161, 5.0,,O16 ,,C,36,H,63,,,O,16,,,,,,,,,,,,,,,,,
     499, 435.294053,  1.8862,  867284.66,  434.8081,  435,   0, -13, 192, 162, 5.0,,O3 S1 ,,C,26,H,43,,,O,3,S,1,,,,,,,,,,,,,,,
     500, 527.161754,  1.8854,  757965.03,  526.5732,  527,   0,  -5, 427, 163, 5.0,,O16 ,,C,20,H,31,,,O,16,,,,,,,,,,,,,,,,,
     501, 217.029851,  1.8803, 1858912.27,  216.7875,  217,   0,  -7, 212, 164, 0.0,,,No Hit
     502, 479.119498,  0.4587,  844382.01,  478.5846,  479,   0, -11, 415, 165,11.0,,O12 ,*, C,22,H,23,,,O,12,,,,,,,,,,,,,,,,,
     503, 493.135131,  1.8687,  816888.45,  492.5846,  493,   0, -11, 415, 165,11.0,,O12 ,*, C,23,H,25,,,O,12,,,,,,,,,,,,,,,,,
     504, 361.092865,  1.8686, 1134015.92,  360.6897,  361,   0,  -3, 310, 166,10.0,,O8 ,,C,18,H,17,,,O,8,,,,,,,,,,,,,,,,,
     505, 325.102604,  1.8658, 1289022.70,  324.7396,  325,   0, -11, 260, 167, 0.0,,,No Hit
     506, 367.088167,  0.2849, 1123523.44,  366.6783,  367,   0, -11, 322, 168, 4.0,,O12 ,,C,13,H,19,,,O,12,,,,,,,,,,,,,,,,,
     507, 381.103826,  0.8936, 1077301.50,  380.6783,  381,   0, -11, 322, 168, 4.0,,O12 ,,C,14,H,21,,,O,12,,,,,,,,,,,,,,,,,
     508, 395.119479,  0.9596, 1067942.55,  394.6783,  395,   0, -11, 322, 168, 4.0,,O12 ,,C,15,H,23,,,O,12,,,,,,,,,,,,,,,,,
     509, 409.135127,  0.7690, 1027709.77,  408.6783,  409,   0, -11, 322, 168, 4.0,,O12 ,,C,16,H,25,,,O,12,,,,,,,,,,,,,,,,,
     510, 423.150779,  1.8597,  985404.77,  422.6784,  423,   0, -11, 322, 168, 4.0,,O12 ,,C,17,H,27,,,O,12,,,,,,,,,,,,,,,,,
     511, 605.354267,  0.1769,  673085.81,  604.6784,  605,   0, -11, 322, 168, 4.0,,O12 ,,C,30,H,53,,,O,12,,,,,,,,,,,,,,,,,
     512, 357.061565,  1.8579, 1156334.52,  356.6629,  357,   0,  -7, 337, 169,12.0,,O8 ,,C,18,H,13,,,O,8,,,,,,,,,,,,,,,,,
     513, 385.092867,  0.6907, 1066510.83,  384.6629,  385,   0,  -7, 337, 169,12.0,,O8 ,,C,20,H,17,,,O,8,,,,,,,,,,,,,,,,,
     514, 399.108510,  0.5458, 1029222.60,  398.6629,  399,   0,  -7, 337, 169,12.0,,O8 ,,C,21,H,19,,,O,8,,,,,,,,,,,,,,,,,
     515, 413.124176,  0.7135,  993632.32,  412.6629,  413,   0,  -7, 337, 169,12.0,,O8 ,,C,22,H,21,,,O,8,,,,,,,,,,,,,,,,,
     516, 541.141027,  0.2183,  622557.02,  540.5369,  541,   0,  -5, 463, 170, 6.0,,O17 ,,C,20,H,29,,,O,17,,,,,,,,,,,,,,,,,
     517, 555.156668,  1.2213,  725626.33,  554.5369,  555,   0,  -5, 463, 170, 6.0,,O17 ,,C,21,H,31,,,O,17,,,,,,,,,,,,,,,,,
     518, 569.172323,  0.5960,  675678.82,  568.5369,  569,   0,  -5, 463, 170, 6.0,,O17 ,,C,22,H,33,,,O,17,,,,,,,,,,,,,,,,,
     519, 583.187977,  1.8471,  687324.60,  582.5369,  583,   0,  -5, 463, 170, 6.0,,O17 ,,C,23,H,35,,,O,17,,,,,,,,,,,,,,,,,
     520, 971.309994,  1.8278,  466399.17,  970.2256,  971,   0, -10,-226, 171, 7.0,,O30 ,*, C,36,H,59,,,O,30,,,,,,,,,,,,,,,,,
     521, 593.193472,  1.8258,  687325.02,  592.5312,  593,   0,  -9, 469, 172, 3.0,,O19 ,,C,21,H,37,,,O,19,,,,,,,,,,,,,,,,,
     522, 543.135513,  0.3895,  770115.87,  542.5291,  543,   0,  -3, 471, 173,10.0,,O15 ,*, C,23,H,27,,,O,15,,,,,,,,,,,,,,,,,
     523, 557.151186,  1.7895,  705962.73,  556.5292,  557,   0,  -3, 471, 173,10.0,,O15 ,*, C,24,H,29,,,O,15,,,,,,,,,,,,,,,,,
     524, 271.045933,  0.2556, 1598064.62,  270.7433,  271,   0,  -9, 257, 174, 6.0,,O8 ,,C,11,H,11,,,O,8,,,,,,,,,,,,,,,,,
     525, 285.061588,  1.7887, 1474510.08,  284.7433,  285,   0,  -9, 257, 174, 6.0,,O8 ,,C,12,H,13,,,O,8,,,,,,,,,,,,,,,,,
     526, 313.092880,  0.6093, 1366693.16,  312.7433,  313,   0,  -9, 257, 174, 6.0,,O8 ,,C,14,H,17,,,O,8,,,,,,,,,,,,,,,,,
     527, 327.108526,  0.3366, 1277071.17,  326.7433,  327,   0,  -9, 257, 174, 6.0,,O8 ,,C,15,H,19,,,O,8,,,,,,,,,,,,,,,,,
     528, 341.124172,  0.4896, 1234816.13,  340.7433,  341,   0,  -9, 257, 174, 6.0,,O8 ,,C,16,H,21,,,O,8,,,,,,,,,,,,,,,,,
     529, 247.024811,  0.3279, 1699808.81,  246.7490,  247,   0,  -5, 251, 175, 9.0,,O6 ,,C,12,H,7,,,O,6,,,,,,,,,,,,,,,,,
     530, 261.040455,  0.4792, 1628123.47,  260.7490,  261,   0,  -5, 251, 175, 9.0,,O6 ,,C,13,H,9,,,O,6,,,,,,,,,,,,,,,,,
     531, 275.056108,  0.8012, 1498840.79,  274.7490,  275,   0,  -5, 251, 175, 9.0,,O6 ,,C,14,H,11,,,O,6,,,,,,,,,,,,,,,,,
     532, 289.071761,  1.2914, 1428667.46,  288.7490,  289,   0,  -5, 251, 175, 9.0,,O6 ,,C,15,H,13,,,O,6,,,,,,,,,,,,,,,,,
     533, 303.087407,  1.7815, 1371899.31,  302.7490,  303,   0,  -5, 251, 175, 9.0,,O6 ,,C,16,H,15,,,O,6,,,,,,,,,,,,,,,,,
     534, 681.188400,  0.2492,  568558.26,  680.4279,  681,   0,  -6,-428, 176, 9.0,,O20 ,*, C,27,H,37,,,O,20,,,,,,,,,,,,,,,,,
     535, 695.204107,  0.1879,  625523.73,  694.4279,  695,   0,  -6,-428, 176, 9.0,,O20 ,*, C,28,H,39,,,O,20,,,,,,,,,,,,,,,,,
     536, 709.219754,  1.7755,  623583.38,  708.4279,  709,   0,  -6,-428, 176, 9.0,,O20 ,*, C,29,H,41,,,O,20,,,,,,,,,,,,,,,,,
     537, 283.045942,  0.3704, 1540690.21,  282.7299,  283,   0, -11, 270, 177, 7.0,,O8 ,,C,12,H,11,,,O,8,,,,,,,,,,,,,,,,,
     538, 297.061586,  0.7046, 1428958.99,  296.7299,  297,   0, -11, 270, 177, 7.0,,O8 ,,C,13,H,13,,,O,8,,,,,,,,,,,,,,,,,
     539, 311.077235,  1.0394, 1355963.70,  310.7299,  311,   0, -11, 270, 177, 7.0,,O8 ,,C,14,H,15,,,O,8,,,,,,,,,,,,,,,,,
     540, 325.092881,  1.1745, 1291799.40,  324.7299,  325,   0, -11, 270, 177, 7.0,,O8 ,,C,15,H,17,,,O,8,,,,,,,,,,,,,,,,,
     541, 339.108522,  1.7736, 1230211.51,  338.7299,  339,   0, -11, 270, 177, 7.0,,O8 ,,C,16,H,19,,,O,8,,,,,,,,,,,,,,,,,
     542, 479.265019,  1.3332,  840772.89,  478.7299,  479,   0, -11, 270, 177, 7.0,,O8 ,,C,26,H,39,,,O,8,,,,,,,,,,,,,,,,,
     543, 507.296383,  0.3772,  737802.76,  506.7300,  507,   0, -11, 270, 177, 7.0,,O8 ,,C,28,H,43,,,O,8,,,,,,,,,,,,,,,,,
     544, 535.327666,  0.3747,  718311.23,  534.7300,  535,   0, -11, 270, 177, 7.0,,O8 ,,C,30,H,47,,,O,8,,,,,,,,,,,,,,,,,
     545, 437.091209,  1.7222,  944045.46,  436.6032,  437,   0, -11, 397, 178,10.0,,O9 S1 ,,C,20,H,21,,,O,9,S,1,,,,,,,,,,,,,,,
     546, 265.035372,  0.2257, 1551499.48,  264.7395,  265,   0,  -1, 261, 179, 8.0,,O7 ,,C,12,H,9,,,O,7,,,,,,,,,,,,,,,,,
     547, 279.051027,  0.4544, 1494555.93,  278.7395,  279,   0,  -1, 261, 179, 8.0,,O7 ,,C,13,H,11,,,O,7,,,,,,,,,,,,,,,,,
     548, 293.066675,  1.0476, 1440160.70,  292.7395,  293,   0,  -1, 261, 179, 8.0,,O7 ,,C,14,H,13,,,O,7,,,,,,,,,,,,,,,,,
     549, 307.082323,  1.2234, 1392808.49,  306.7395,  307,   0,  -1, 261, 179, 8.0,,O7 ,,C,15,H,15,,,O,7,,,,,,,,,,,,,,,,,
     550, 321.097968,  1.6814, 1303105.06,  320.7395,  321,   0,  -1, 261, 179, 8.0,,O7 ,,C,16,H,17,,,O,7,,,,,,,,,,,,,,,,,
     551, 461.254463,  0.6771,  873588.95,  460.7395,  461,   0,  -1, 261, 179, 8.0,,O7 ,,C,26,H,37,,,O,7,,,,,,,,,,,,,,,,,
     552, 939.283731,  0.1541,  459001.50,  938.2351,  939,   0, -14,-235, 180, 8.0,,O29 ,*, C,35,H,55,,,O,29,,,,,,,,,,,,,,,,,
     553, 953.299401,  1.6772,  467687.38,  952.2351,  953,   0, -14,-235, 180, 8.0,,O29 ,*, C,36,H,57,,,O,29,,,,,,,,,,,,,,,,,
     554, 319.103448,  1.6660, 1319039.03,  318.7472,  319,   0,  -3, 253, 181, 4.0,,O9 ,,C,13,H,19,,,O,9,,,,,,,,,,,,,,,,,
     555, 845.276287,  1.6317,  209552.25,  844.3326,  845,   0, -10,-333, 182,34.0,,O4 S2 ,*, C,56,H,45,,,O,4,S,2,,,,,,,,,,,,,,,
     556, 255.029893,  0.2037, 1735885.48,  254.7452,  255,   0, -11, 255, 183,11.0,,O5 ,,C,14,H,7,,,O,5,,,,,,,,,,,,,,,,,
     557, 269.045545,  0.6304, 1591348.75,  268.7452,  269,   0, -11, 255, 183,11.0,,O5 ,,C,15,H,9,,,O,5,,,,,,,,,,,,,,,,,
     558, 283.061195,  1.0417, 1467904.19,  282.7452,  283,   0, -11, 255, 183,11.0,,O5 ,,C,16,H,11,,,O,5,,,,,,,,,,,,,,,,,
     559, 297.076846,  1.6140, 1400861.01,  296.7452,  297,   0, -11, 255, 183,11.0,,O5 ,,C,17,H,13,,,O,5,,,,,,,,,,,,,,,,,
     560, 309.061584,  0.4722, 1359567.53,  308.7165,  309,   0, -13, 283, 184, 8.0,,O8 ,,C,14,H,13,,,O,8,,,,,,,,,,,,,,,,,
     561, 323.077234,  1.0183, 1322081.43,  322.7165,  323,   0, -13, 283, 184, 8.0,,O8 ,,C,15,H,15,,,O,8,,,,,,,,,,,,,,,,,
     562, 337.092873,  1.3561, 1236610.69,  336.7165,  337,   0, -13, 283, 184, 8.0,,O8 ,,C,16,H,17,,,O,8,,,,,,,,,,,,,,,,,
     563, 351.108519,  1.6057, 1186720.00,  350.7165,  351,   0, -13, 283, 184, 8.0,,O8 ,,C,17,H,19,,,O,8,,,,,,,,,,,,,,,,,
     564, 437.303052,  1.3703,  940869.22,  436.8148,  437,   0, -11, 185, 185, 1.0,,O8 13C2 ,#, C,20,H,43,,,O,8,,,,,13C,2, ,,,,,,,,,,
     565, 465.334352,  1.6023,  863984.90,  464.8148,  465,   0, -11, 185, 185, 1.0,,O8 13C2 ,#, C,22,H,47,,,O,8,,,,,13C,2, ,,,,,,,,,,
     566, 781.260480,  1.5990,  228585.18,  780.3882,  781,   0,  -4,-388, 186,35.0,,O1 S2 ,*, C,55,H,41,,,O,1,S,2,,,,,,,,,,,,,,,
     567, 609.188393,  1.5968,  692055.63,  608.5083,  609,   0,  -7, 492, 187, 3.0,,O20 ,,C,21,H,37,,,O,20,,,,,,,,,,,,,,,,,
     568, 637.219702,  0.2199,  572124.27,  636.5083,  637,   0,  -7, 492, 187, 3.0,,O20 ,,C,23,H,41,,,O,20,,,,,,,,,,,,,,,,,
     569, 431.129190,  0.2743,  968983.93,  430.6479,  431,   0,  -3, 352, 188,10.0,,N2 O1 S3 ,,C,22,H,27,N,2,O,1,S,3,,,,,,,,,,,,,,,
     570, 459.160510,  1.5873,  888863.58,  458.6479,  459,   0,  -3, 352, 188,10.0,,N2 O1 S3 ,,C,24,H,31,N,2,O,1,S,3,,,,,,,,,,,,,,,
     571, 755.225249,  1.5868,  586810.82,  754.3821,  755,   0,  -2,-382, 189, 9.0,,O22 ,*, C,30,H,43,,,O,22,,,,,,,,,,,,,,,,,
     572, 207.029912,  0.4136, 1960027.65,  206.7988,  207,   0,  -3, 201, 190, 7.0,,O5 ,,C,10,H,7,,,O,5,,,,,,,,,,,,,,,,,
     573, 221.045557,  1.4082, 1812256.82,  220.7988,  221,   0,  -3, 201, 190, 7.0,,O5 ,,C,11,H,9,,,O,5,,,,,,,,,,,,,,,,,
     574, 235.061201,  1.5810, 1736637.98,  234.7988,  235,   0,  -3, 201, 190, 7.0,,O5 ,,C,12,H,11,,,O,5,,,,,,,,,,,,,,,,,
     575, 263.092497,  0.2136, 1695595.03,  262.7988,  263,   0,  -3, 201, 190, 7.0,,O5 ,,C,14,H,15,,,O,5,,,,,,,,,,,,,,,,,
     576, 277.108140,  0.1833, 1552101.91,  276.7988,  277,   0,  -3, 201, 190, 7.0,,O5 ,,C,15,H,17,,,O,5,,,,,,,,,,,,,,,,,
     577, 389.118638,  1.5613, 1050120.08,  388.6842,  389,   0,  -3, 316, 191, 9.0,,N2 S3 ,,C,20,H,25,N,2,,,S,3,,,,,,,,,,,,,,,
     578, 599.353552,  0.1750,  559870.15,  598.6844,  599,   0,  -3, 316, 191, 9.0,,N2 S3 ,,C,35,H,55,N,2,,,S,3,,,,,,,,,,,,,,,
     579, 627.384850,  0.1954,  625621.39,  626.6844,  627,   0,  -3, 316, 191, 9.0,,N2 S3 ,,C,37,H,59,N,2,,,S,3,,,,,,,,,,,,,,,
     580, 505.165994,  1.5543,  818781.41,  504.6020,  505,   0, -13, 398, 192,10.0,,N2 O3 S3 ,,C,25,H,33,N,2,O,3,S,3,,,,,,,,,,,,,,,
     581, 575.182886,  1.5428,  671387.15,  574.5407,  575,   0, -13, 459, 193, 4.0,,O18 ,,C,21,H,35,,,O,18,,,,,,,,,,,,,,,,,
     582, 499.166827,  1.5352,  783458.09,  498.6095,  499,   0,  -5, 390, 194, 4.0,,O15 ,,C,19,H,31,,,O,15,,,,,,,,,,,,,,,,,
     583, 285.082719,  1.5269, 1481120.88,  284.7644,  285,   0,  -9, 236, 195, 1.0,,O10 ,,C,9,H,17,,,O,10,,,,,,,,,,,,,,,,,
     584, 771.241341,  0.6990,  581127.08,  770.3803,  771,   0, -14,-380, 196, 4.0,,O25 ,*, C,27,H,47,,,O,25,,,,,,,,,,,,,,,,,
     585, 785.256947,  0.2146,  503830.07,  784.3802,  785,   0, -14,-380, 196, 4.0,,O25 ,*, C,28,H,49,,,O,25,,,,,,,,,,,,,,,,,
     586, 799.272640,  1.5197,  552286.32,  798.3803,  799,   0, -14,-380, 196, 4.0,,O25 ,*, C,29,H,51,,,O,25,,,,,,,,,,,,,,,,,
     587, 819.241347,  1.5086,  538395.73,  818.3267,  819,   0,  -8,-327, 197, 8.0,,O25 ,*, C,31,H,47,,,O,25,,,,,,,,,,,,,,,,,
     588, 741.230742,  1.4994,  590187.98,  740.4032,  741,   0,  -2,-403, 198, 4.0,,O24 ,*, C,26,H,45,,,O,24,,,,,,,,,,,,,,,,,
     589, 351.072126,  0.5465, 1141392.93,  350.6802,  351,   0, -13, 320, 199, 9.0,,O9 ,,C,16,H,15,,,O,9,,,,,,,,,,,,,,,,,
     590, 365.087779,  1.4903, 1112868.38,  364.6802,  365,   0, -13, 320, 199, 9.0,,O9 ,,C,17,H,17,,,O,9,,,,,,,,,,,,,,,,,
     591, 393.119090,  0.4212, 1127843.69,  392.6802,  393,   0, -13, 320, 199, 9.0,,O9 ,,C,19,H,21,,,O,9,,,,,,,,,,,,,,,,,
     592, 205.035390,  0.4693, 1969575.80,  204.8065,  205,   0,  -5, 194, 200, 3.0,,O7 ,,C,7,H,9,,,O,7,,,,,,,,,,,,,,,,,
     593, 219.051040,  0.2195, 1829681.63,  218.8065,  219,   0,  -5, 194, 200, 3.0,,O7 ,,C,8,H,11,,,O,7,,,,,,,,,,,,,,,,,
     594, 233.066685,  0.6223, 1735548.10,  232.8065,  233,   0,  -5, 194, 200, 3.0,,O7 ,,C,9,H,13,,,O,7,,,,,,,,,,,,,,,,,
     595, 247.082326,  0.3245, 1614458.43,  246.8065,  247,   0,  -5, 194, 200, 3.0,,O7 ,,C,10,H,15,,,O,7,,,,,,,,,,,,,,,,,
     596, 261.097973,  1.4789, 1618052.25,  260.8065,  261,   0,  -5, 194, 200, 3.0,,O7 ,,C,11,H,17,,,O,7,,,,,,,,,,,,,,,,,
     597, 443.301423,  1.0444,  918741.37,  442.8065,  443,   0,  -5, 194, 200, 3.0,,O7 ,,C,24,H,43,,,O,7,,,,,,,,,,,,,,,,,
     598, 415.124564,  1.4774,  991579.71,  414.6611,  415,   0,  -5, 339, 201, 7.0,,O11 ,,C,18,H,23,,,O,11,,,,,,,,,,,,,,,,,
     599, 369.082685,  0.4437, 1127311.31,  368.6706,  369,   0,  -9, 329, 202, 8.0,,O10 ,,C,16,H,17,,,O,10,,,,,,,,,,,,,,,,,
     600, 383.098344,  1.4702, 1054839.04,  382.6706,  383,   0,  -9, 329, 202, 8.0,,O10 ,,C,17,H,19,,,O,10,,,,,,,,,,,,,,,,,
     601, 411.129660,  0.3270,  895059.42,  410.6707,  411,   0,  -9, 329, 202, 8.0,,O10 ,,C,19,H,23,,,O,10,,,,,,,,,,,,,,,,,
     602, 331.067052,  0.3920, 1282466.82,  330.6974,  331,   0,  -5, 303, 203, 6.0,,O10 ,,C,13,H,15,,,O,10,,,,,,,,,,,,,,,,,
     603, 345.082700,  1.2818, 1189997.66,  344.6974,  345,   0,  -5, 303, 203, 6.0,,O10 ,,C,14,H,17,,,O,10,,,,,,,,,,,,,,,,,
     604, 359.098342,  1.2997, 1138486.00,  358.6974,  359,   0,  -5, 303, 203, 6.0,,O10 ,,C,15,H,19,,,O,10,,,,,,,,,,,,,,,,,
     605, 373.113997,  1.3699, 1084268.67,  372.6974,  373,   0,  -5, 303, 203, 6.0,,O10 ,,C,16,H,21,,,O,10,,,,,,,,,,,,,,,,,
     606, 387.129645,  1.4555, 1040718.13,  386.6974,  387,   0,  -5, 303, 203, 6.0,,O10 ,,C,17,H,23,,,O,10,,,,,,,,,,,,,,,,,
     607, 569.333171,  0.5168,  677902.08,  568.6975,  569,   0,  -5, 302, 203, 6.0,,O10 ,,C,30,H,49,,,O,10,,,,,,,,,,,,,,,,,
     608, 225.040472,  0.2385, 1645235.98,  224.7892,  225,   0, -13, 211, 204, 6.0,,O6 ,,C,10,H,9,,,O,6,,,,,,,,,,,,,,,,,
     609, 239.056115,  1.4553, 1714321.92,  238.7892,  239,   0, -13, 211, 204, 6.0,,O6 ,,C,11,H,11,,,O,6,,,,,,,,,,,,,,,,,
     610, 267.087410,  0.2274, 1700860.45,  266.7892,  267,   0, -13, 211, 204, 6.0,,O6 ,,C,13,H,15,,,O,6,,,,,,,,,,,,,,,,,
     611, 995.901236,  0.2079,  481936.23,  994.7894,  995,   0, -13, 211, 204, 6.0,,O6 ,,C,65,H,119,,,O,6,,,,,,,,,,,,,,,,,
     612, 681.209555,  1.4485,  611268.05,  680.4490,  681,   0,  -6,-449, 205, 4.0,,O22 ,*, C,24,H,41,,,O,22,,,,,,,,,,,,,,,,,
     613, 403.122641,  1.4407,  970128.40,  402.6726,  403,   0,  -3, 327, 206, 0.0,,,No Hit
     614, 855.262520,  1.2836,  515228.51,  854.3077,  855,   0, -14,-308, 207, 6.0,,O27 ,*, C,31,H,51,,,O,27,,,,,,,,,,,,,,,,,
     615, 869.278198,  1.4073,  518345.88,  868.3077,  869,   0, -14,-308, 207, 6.0,,O27 ,*, C,32,H,53,,,O,27,,,,,,,,,,,,,,,,,
     616, 327.072145,  0.5321, 1259476.53,  326.7070,  327,   0,  -9, 293, 208, 7.0,,O9 ,,C,14,H,15,,,O,9,,,,,,,,,,,,,,,,,
     617, 341.087788,  0.9330, 1218646.62,  340.7070,  341,   0,  -9, 293, 208, 7.0,,O9 ,,C,15,H,17,,,O,9,,,,,,,,,,,,,,,,,
     618, 355.103430,  1.0629, 1162009.99,  354.7070,  355,   0,  -9, 293, 208, 7.0,,O9 ,,C,16,H,19,,,O,9,,,,,,,,,,,,,,,,,
     619, 369.119080,  1.4035, 1117620.61,  368.7070,  369,   0,  -9, 293, 208, 7.0,,O9 ,,C,17,H,21,,,O,9,,,,,,,,,,,,,,,,,
     620, 427.088182,  0.5551,  993737.08,  426.6114,  427,   0,  -7, 389, 209, 9.0,,O12 ,,C,18,H,19,,,O,12,,,,,,,,,,,,,,,,,
     621, 441.103821,  1.2873,  914339.31,  440.6113,  441,   0,  -7, 389, 209, 9.0,,O12 ,,C,19,H,21,,,O,12,,,,,,,,,,,,,,,,,
     622, 455.119485,  1.3971,  900773.53,  454.6114,  455,   0,  -7, 389, 209, 9.0,,O12 ,,C,20,H,23,,,O,12,,,,,,,,,,,,,,,,,
     623, 483.150803,  1.1383,  840868.18,  482.6114,  483,   0,  -7, 389, 209, 9.0,,O12 ,,C,22,H,27,,,O,12,,,,,,,,,,,,,,,,,
     624, 651.338669,  0.3313,  600310.35,  650.6115,  651,   0,  -7, 389, 209, 9.0,,O12 ,,C,34,H,51,,,O,12,,,,,,,,,,,,,,,,,
     625, 679.370011,  0.3310,  624029.12,  678.6115,  679,   0,  -7, 388, 209, 9.0,,O12 ,,C,36,H,55,,,O,12,,,,,,,,,,,,,,,,,
     626, 401.128144,  1.3930,  959304.05,  400.6803,  401,   0,  -5, 320, 210, 0.0,,,No Hit
     627, 625.378436,  0.2573,  149353.80,  624.6802,  625,   0,  -5, 320, 210, 0.0,,,No Hit
     628, 501.146091,  1.3864,  804592.21,  500.5866,  501,   0,  -3, 413, 211, 4.0,,O16 ,,C,18,H,29,,,O,16,,,,,,,,,,,,,,,,,
     629, 529.177386,  0.3508,  816330.73,  528.5866,  529,   0,  -3, 413, 211, 4.0,,O16 ,,C,20,H,33,,,O,16,,,,,,,,,,,,,,,,,
     630, 361.056494,  0.3062, 1138102.01,  360.6534,  361,   0,  -3, 347, 212,11.0,,O9 ,,C,17,H,13,,,O,9,,,,,,,,,,,,,,,,,
     631, 375.072132,  1.3771, 1102066.10,  374.6534,  375,   0,  -3, 347, 212,11.0,,O9 ,,C,18,H,15,,,O,9,,,,,,,,,,,,,,,,,
     632, 403.103437,  0.4878, 1034311.88,  402.6534,  403,   0,  -3, 347, 212,11.0,,O9 ,,C,20,H,19,,,O,9,,,,,,,,,,,,,,,,,
     633, 417.119084,  0.4472,  954879.06,  416.6534,  417,   0,  -3, 347, 212,11.0,,O9 ,,C,21,H,21,,,O,9,,,,,,,,,,,,,,,,,
     634, 431.134742,  0.5666,  985216.51,  430.6534,  431,   0,  -3, 347, 212,11.0,,O9 ,,C,22,H,23,,,O,9,,,,,,,,,,,,,,,,,
     635, 549.165834,  1.3677,  200166.41,  548.5527,  549,   0, -11, 447, 213, 6.0,,O8 S3 ,,C,24,H,37,,,O,8,S,3,,,,,,,,,,,,,,,
     636, 787.431870,  0.3169,  223797.31,  786.5527,  787,   0, -11, 447, 213, 6.0,,O8 S3 ,,C,41,H,71,,,O,8,S,3,,,,,,,,,,,,,,,
     637, 429.103823,  1.3657,  965688.21,  428.6247,  429,   0,  -5, 375, 214, 8.0,,O12 ,,C,18,H,21,,,O,12,,,,,,,,,,,,,,,,,
     638, 457.135121,  0.5594,  894090.41,  456.6248,  457,   0,  -5, 375, 214, 8.0,,O12 ,,C,20,H,25,,,O,12,,,,,,,,,,,,,,,,,
     639, 471.150776,  0.2659,  892616.95,  470.6248,  471,   0,  -5, 375, 214, 8.0,,O12 ,,C,21,H,27,,,O,12,,,,,,,,,,,,,,,,,
     640, 485.166423,  0.5745,  802194.49,  484.6248,  485,   0,  -5, 375, 214, 8.0,,O12 ,,C,22,H,29,,,O,12,,,,,,,,,,,,,,,,,
     641, 763.182080,  1.3525,  589618.38,  762.3300,  763,   0,  -8,-330, 215,30.0,,O12 ,*, C,45,H,31,,,O,12,,,,,,,,,,,,,,,,,
     642, 833.256994,  1.3497,  510351.82,  832.3267,  833,   0,  -8,-327, 216, 8.0,,O25 ,*, C,32,H,49,,,O,25,,,,,,,,,,,,,,,,,
     643, 461.151176,  1.3381,  900916.61,  460.6363,  461,   0,  -1, 364, 217, 2.0,,O15 ,,C,16,H,29,,,O,15,,,,,,,,,,,,,,,,,
     644, 469.156262,  1.3341,  884103.06,  468.6325,  469,   0,  -7, 368, 218, 4.0,,O14 ,,C,18,H,29,,,O,14,,,,,,,,,,,,,,,,,
     645, 243.029901,  0.4694, 1663976.57,  242.7586,  243,   0,  -9, 241, 219,10.0,,O5 ,,C,13,H,7,,,O,5,,,,,,,,,,,,,,,,,
     646, 257.045545,  0.6486, 1622161.83,  256.7586,  257,   0,  -9, 241, 219,10.0,,O5 ,,C,14,H,9,,,O,5,,,,,,,,,,,,,,,,,
     647, 271.061191,  0.9548, 1532210.51,  270.7586,  271,   0,  -9, 241, 219,10.0,,O5 ,,C,15,H,11,,,O,5,,,,,,,,,,,,,,,,,
     648, 285.076845,  1.3297, 1467782.96,  284.7586,  285,   0,  -9, 241, 219,10.0,,O5 ,,C,16,H,13,,,O,5,,,,,,,,,,,,,,,,,
     649, 379.103430,  1.3263, 1086458.67,  378.6802,  379,   0, -13, 320, 220, 9.0,,O9 ,,C,18,H,19,,,O,9,,,,,,,,,,,,,,,,,
     650, 525.124988,  0.2798,  753152.13,  524.5387,  525,   0,  -7, 461, 221,11.0,,O14 ,*, C,23,H,25,,,O,14,,,,,,,,,,,,,,,,,
     651, 539.140624,  1.3179,  718528.15,  538.5387,  539,   0,  -7, 461, 221,11.0,,O14 ,*, C,24,H,27,,,O,14,,,,,,,,,,,,,,,,,
     652, 567.171894,  0.2374,  728308.30,  566.5387,  567,   0,  -7, 461, 221,11.0,,O14 ,*, C,26,H,31,,,O,14,,,,,,,,,,,,,,,,,
     653, 563.181383,  1.3095,  193736.02,  562.5526,  563,   0, -11, 447, 222, 6.0,,O8 S3 ,,C,25,H,39,,,O,8,S,3,,,,,,,,,,,,,,,
     654, 411.072109,  0.2764, 1014086.94,  410.6132,  411,   0,  -9, 387, 223,14.0,,O9 ,,C,21,H,15,,,O,9,,,,,,,,,,,,,,,,,
     655, 425.087787,  0.5920,  993728.57,  424.6132,  425,   0,  -9, 387, 223,14.0,,O9 ,,C,22,H,17,,,O,9,,,,,,,,,,,,,,,,,
     656, 439.103436,  1.3055,  949219.51,  438.6132,  439,   0,  -9, 387, 223,14.0,,O9 ,,C,23,H,19,,,O,9,,,,,,,,,,,,,,,,,
     657, 397.221362,  1.3004, 1032959.00,  396.7779,  397,   0,  -9, 222, 224,10.0,,N1 O4 13C1 ,#, C,23,H,30,N,1,O,4,,,,,13C,1, ,,,,,,,,,,
     658, 809.255240,  1.2617,  220020.11,  808.3517,  809,   0,  -4,-352, 225,36.0,,O2 S2 ,*, C,56,H,41,,,O,2,S,2,,,,,,,,,,,,,,,
     659, 935.288848,  1.2611,  473719.36,  934.2446,  935,   0,  -4,-245, 226, 9.0,,O28 ,*, C,36,H,55,,,O,28,,,,,,,,,,,,,,,,,
     660, 891.283693,  1.2543,  506777.87,  890.2886,  891,   0,  -6,-289, 227, 4.0,,O29 ,*, C,31,H,55,,,O,29,,,,,,,,,,,,,,,,,
     661, 507.114398,  0.3155,  782186.19,  506.5482,  507,   0, -11, 452, 228,12.0,,O13 ,*, C,23,H,23,,,O,13,,,,,,,,,,,,,,,,,
     662, 521.130059,  1.2541,  763066.83,  520.5482,  521,   0, -11, 452, 228,12.0,,O13 ,*, C,24,H,25,,,O,13,,,,,,,,,,,,,,,,,
     663, 439.143358,  1.2510,  897934.43,  438.6531,  439,   0,  -9, 347, 229, 8.0,,O8 S1 ,,C,21,H,27,,,O,8,S,1,,,,,,,,,,,,,,,
     664, 231.029903,  0.7891, 1751584.80,  230.7720,  231,   0,  -7, 228, 230, 9.0,,O5 ,,C,12,H,7,,,O,5,,,,,,,,,,,,,,,,,
     665, 245.045547,  0.6250, 1641999.23,  244.7720,  245,   0,  -7, 228, 230, 9.0,,O5 ,,C,13,H,9,,,O,5,,,,,,,,,,,,,,,,,
     666, 259.061196,  0.7904, 1644818.50,  258.7720,  259,   0,  -7, 228, 230, 9.0,,O5 ,,C,14,H,11,,,O,5,,,,,,,,,,,,,,,,,
     667, 273.076835,  0.6793, 1577898.49,  272.7720,  273,   0,  -7, 228, 230, 9.0,,O5 ,,C,15,H,13,,,O,5,,,,,,,,,,,,,,,,,
     668, 287.092497,  1.2436, 1464059.86,  286.7720,  287,   0,  -7, 228, 230, 9.0,,O5 ,,C,16,H,15,,,O,5,,,,,,,,,,,,,,,,,
     669, 539.161752,  1.2412,  755200.65,  538.5598,  539,   0,  -7, 440, 231, 6.0,,O16 ,,C,21,H,31,,,O,16,,,,,,,,,,,,,,,,,
     670, 873.271034,  1.2412,  608150.69,  872.2961,  873,   0, -10,-296, 232,35.0,,O5 S2 ,*, C,57,H,45,,,O,5,S,2,,,,,,,,,,,,,,,
     671, 485.148266,  1.2409,  795663.57,  484.6066,  485,   0,  -5, 393, 233, 0.0,,,No Hit
     672, 253.071760,  1.2292, 1659365.01,  252.7892,  253,   0, -13, 211, 234, 6.0,,O6 ,,C,12,H,13,,,O,6,,,,,,,,,,,,,,,,,
     673, 617.154638,  1.2187,  681657.16,  616.4656,  617,   0, -14,-466, 235,37.0,,O2 ,*, C,47,H,21,,,O,2,,,,,,,,,,,,,,,,,
     674, 235.024819,  0.2405, 1797800.46,  234.7624,  235,   0,  -3, 238, 236, 8.0,,O6 ,,C,11,H,7,,,O,6,,,,,,,,,,,,,,,,,
     675, 249.040461,  1.0548, 1671597.68,  248.7624,  249,   0,  -3, 238, 236, 8.0,,O6 ,,C,12,H,9,,,O,6,,,,,,,,,,,,,,,,,
     676, 263.056106,  0.7621, 1527603.13,  262.7624,  263,   0,  -3, 238, 236, 8.0,,O6 ,,C,13,H,11,,,O,6,,,,,,,,,,,,,,,,,
     677, 277.071759,  0.7168, 1488674.40,  276.7624,  277,   0,  -3, 238, 236, 8.0,,O6 ,,C,14,H,13,,,O,6,,,,,,,,,,,,,,,,,
     678, 291.087411,  0.7063, 1443715.07,  290.7624,  291,   0,  -3, 238, 236, 8.0,,O6 ,,C,15,H,15,,,O,6,,,,,,,,,,,,,,,,,
     679, 305.103059,  1.2177, 1354405.68,  304.7624,  305,   0,  -3, 238, 236, 8.0,,O6 ,,C,16,H,17,,,O,6,,,,,,,,,,,,,,,,,
     680, 423.114402,  0.4104, 1011106.04,  422.6420,  423,   0, -11, 358, 237, 5.0,,O13 ,,C,16,H,23,,,O,13,,,,,,,,,,,,,,,,,
     681, 437.130042,  1.2136,  948133.90,  436.6420,  437,   0, -11, 358, 237, 5.0,,O13 ,,C,17,H,25,,,O,13,,,,,,,,,,,,,,,,,
     682, 659.182953,  0.1843,  665034.70,  658.4470,  659,   0, -14,-447, 238,11.0,,O18 ,*, C,28,H,35,,,O,18,,,,,,,,,,,,,,,,,
     683, 673.198597,  1.2108,  635795.37,  672.4470,  673,   0, -14,-447, 238,11.0,,O18 ,*, C,29,H,37,,,O,18,,,,,,,,,,,,,,,,,
     684, 161.045573,  0.8733, 2459186.97,  160.8658,  161,   0,  -7, 134, 239, 2.0,,O5 ,,C,6,H,9,,,O,5,,,,,,,,,,,,,,,,,
     685, 371.280285,  0.9617, 1102161.17,  370.8658,  371,   0,  -7, 134, 239, 2.0,,O5 ,,C,21,H,39,,,O,5,,,,,,,,,,,,,,,,,
     686, 399.311600,  1.2073, 1005779.80,  398.8658,  399,   0,  -7, 134, 239, 2.0,,O5 ,,C,23,H,43,,,O,5,,,,,,,,,,,,,,,,,
     687, 429.082693,  0.2555,  970804.18,  428.6036,  429,   0,  -5, 396, 240,13.0,,O10 ,,C,21,H,17,,,O,10,,,,,,,,,,,,,,,,,
     688, 443.098356,  0.4495,  957800.20,  442.6037,  443,   0,  -5, 396, 240,13.0,,O10 ,,C,22,H,19,,,O,10,,,,,,,,,,,,,,,,,
     689, 457.113994,  1.2034,  896564.99,  456.6036,  457,   0,  -5, 396, 240,13.0,,O10 ,,C,23,H,21,,,O,10,,,,,,,,,,,,,,,,,
     690, 327.087398,  1.1828, 1285727.43,  326.7222,  327,   0,  -9, 278, 241,11.0,,O6 ,,C,18,H,15,,,O,6,,,,,,,,,,,,,,,,,
     691, 863.244311,  1.1787,  511125.49,  862.2805,  863,   0,  -6,-281, 242,44.0,,O6 ,*, C,61,H,35,,,O,6,,,,,,,,,,,,,,,,,
     692, 549.163419,  1.1739,  736884.27,  548.5503,  549,   0, -11, 450, 243, 0.0,,,No Hit
     693, 337.035359,  1.1650, 1259595.45,  336.6591,  337,   0, -13, 341, 244,14.0,,O7 ,,C,18,H,9,,,O,7,,,,,,,,,,,,,,,,,
     694, 365.066645,  0.4751, 1155735.08,  364.6591,  365,   0, -13, 341, 244,14.0,,O7 ,,C,20,H,13,,,O,7,,,,,,,,,,,,,,,,,
     695, 393.097964,  0.6308, 1043899.70,  392.6591,  393,   0, -13, 341, 244,14.0,,O7 ,,C,22,H,17,,,O,7,,,,,,,,,,,,,,,,,
     696, 407.113609,  0.3902, 1039131.92,  406.6591,  407,   0, -13, 341, 244,14.0,,O7 ,,C,23,H,19,,,O,7,,,,,,,,,,,,,,,,,
     697, 583.118584,  1.1573,  671550.57,  582.4676,  583,   0,  -6,-468, 245,30.0,,O6 ,*, C,39,H,19,,,O,6,,,,,,,,,,,,,,,,,
     698, 281.045545,  0.5668, 1473913.08,  280.7318,  281,   0, -13, 268, 246,12.0,,O5 ,,C,16,H,9,,,O,5,,,,,,,,,,,,,,,,,
     699, 295.061195,  1.1551, 1429789.92,  294.7318,  295,   0, -13, 268, 246,12.0,,O5 ,,C,17,H,11,,,O,5,,,,,,,,,,,,,,,,,
     700, 323.092490,  0.3006, 1224466.56,  322.7318,  323,   0, -13, 268, 246,12.0,,O5 ,,C,19,H,15,,,O,5,,,,,,,,,,,,,,,,,
     701, 905.299396,  1.1513,  481620.36,  904.2887,  905,   0,  -6,-289, 247, 4.0,,O29 ,*, C,32,H,57,,,O,29,,,,,,,,,,,,,,,,,
     702, 633.171926,  1.1331,  656329.22,  632.4650,  633,   0, -12,-465, 248,31.0,,S2 ,,C,45,H,29,,,,,S,2,,,,,,,,,,,,,,,
     703, 411.093261,  1.1330, 1013223.14,  410.6343,  411,   0,  -9, 366, 249, 9.0,,O11 ,,C,18,H,19,,,O,11,,,,,,,,,,,,,,,,,
     704, 439.124561,  0.5466,  957241.09,  438.6343,  439,   0,  -9, 366, 249, 9.0,,O11 ,,C,20,H,23,,,O,11,,,,,,,,,,,,,,,,,
     705, 453.140213,  0.3996,  888436.07,  452.6343,  453,   0,  -9, 366, 249, 9.0,,O11 ,,C,21,H,25,,,O,11,,,,,,,,,,,,,,,,,
     706, 467.155896,  0.4247,  775222.31,  466.6343,  467,   0,  -9, 366, 249, 9.0,,O11 ,,C,22,H,27,,,O,11,,,,,,,,,,,,,,,,,
     707, 447.114395,  1.1226,  936503.65,  446.6152,  447,   0,  -1, 385, 250, 7.0,,O13 ,,C,18,H,23,,,O,13,,,,,,,,,,,,,,,,,
     708, 475.145681,  0.3929,  848080.88,  474.6152,  475,   0,  -1, 385, 250, 7.0,,O13 ,,C,20,H,27,,,O,13,,,,,,,,,,,,,,,,,
     709, 503.177009,  0.2350,  821033.26,  502.6152,  503,   0,  -1, 385, 250, 7.0,,O13 ,,C,22,H,31,,,O,13,,,,,,,,,,,,,,,,,
     710, 627.177828,  1.1199,  662263.46,  626.4776,  627,   0,  -4,-478, 251, 7.0,,O19 ,,C,24,H,35,,,O,19,,,,,,,,,,,,,,,,,
     711, 461.108909,  0.4523,  883892.69,  460.5941,  461,   0,  -1, 406, 252,12.0,,O11 ,,C,22,H,21,,,O,11,,,,,,,,,,,,,,,,,
     712, 475.124572,  1.1178,  877630.85,  474.5941,  475,   0,  -1, 406, 252,12.0,,O11 ,,C,23,H,23,,,O,11,,,,,,,,,,,,,,,,,
     713, 547.097437,  1.1137,  743445.81,  546.4866,  547,   0, -14,-487, 253,32.0,,O4 ,*, C,39,H,15,,,O,4,,,,,,,,,,,,,,,,,
     714, 645.188409,  1.1114,  630696.83,  644.4681,  645,   0, -14,-468, 254, 6.0,,O20 ,*, C,24,H,37,,,O,20,,,,,,,,,,,,,,,,,
     715, 673.219709,  0.1628,  633157.01,  672.4681,  673,   0, -14,-468, 254, 6.0,,O20 ,*, C,26,H,41,,,O,20,,,,,,,,,,,,,,,,,
     716, 403.134291,  1.1114, 1029283.16,  402.6842,  403,   0,  -3, 316, 255, 9.0,,N2 S3 ,,C,21,H,27,N,2,,,S,3,,,,,,,,,,,,,,,
     717, 723.199079,  0.2193,  673704.18,  722.3917,  723,   0,  -6,-392, 256,10.0,,O21 ,*, C,29,H,39,,,O,21,,,,,,,,,,,,,,,,,
     718, 737.214682,  1.1100,  588360.78,  736.3916,  737,   0,  -6,-392, 256,10.0,,O21 ,*, C,30,H,41,,,O,21,,,,,,,,,,,,,,,,,
     719, 563.178848,  1.1100,  726834.90,  562.5501,  563,   0, -11, 450, 257, 0.0,,,No Hit
     720,1035.326156,  1.1077,  443814.98, 1034.1703, 1035,   0,  -2,-170, 258, 6.0,,O33 ,*, C,37,H,63,,,O,33,,,,,,,,,,,,,,,,,
     721, 593.157078,  0.8049,  695331.31,  592.4948,  593,   0, -10,-495, 259, 4.0,,O20 ,,C,20,H,33,,,O,20,,,,,,,,,,,,,,,,,
     722, 607.172751,  0.2068,  660518.43,  606.4949,  607,   0, -10,-495, 259, 4.0,,O20 ,,C,21,H,35,,,O,20,,,,,,,,,,,,,,,,,
     723, 621.188378,  0.4654,  655988.95,  620.4949,  621,   0, -10,-495, 259, 4.0,,O20 ,,C,22,H,37,,,O,20,,,,,,,,,,,,,,,,,
     724, 635.204039,  1.1044,  661355.59,  634.4949,  635,   0, -10,-495, 259, 4.0,,O20 ,,C,23,H,39,,,O,20,,,,,,,,,,,,,,,,,
     725, 887.286602,  1.0986,  603261.21,  886.2960,  887,   0, -10,-296, 260,36.0,,O10 ,*, C,57,H,43,,,O,10,,,,,,,,,,,,,,,,,
     726, 295.102267,  1.0873,  169536.28,  294.7728,  295,   0, -13, 227, 261, 0.0,,,No Hit
     727, 345.097955,  1.0873, 1195934.03,  344.7127,  345,   0,  -5, 287, 262,10.0,,O7 ,,C,18,H,17,,,O,7,,,,,,,,,,,,,,,,,
     728, 433.135131,  1.0752,  959370.12,  432.6516,  433,   0,  -1, 348, 263, 6.0,,O12 ,,C,18,H,25,,,O,12,,,,,,,,,,,,,,,,,
     729, 699.220143,  1.0740,  609079.68,  698.4395,  699,   0,  -2,-439, 264, 3.0,,O23 ,*, C,24,H,43,,,O,23,,,,,,,,,,,,,,,,,
     730, 385.044595,  1.0728, 1073857.11,  384.6147,  385,   0,  -7, 385, 265, 4.0,,O12 S1 ,,C,12,H,17,,,O,12,S,1,,,,,,,,,,,,,,,
     731, 401.070079,  1.0725, 1037237.13,  400.6223,  401,   0,  -5, 378, 266,12.0,,O7 S1 ,,C,20,H,17,,,O,7,S,1,,,,,,,,,,,,,,,
     732, 703.188385,  1.0690,  584942.61,  702.4033,  703,   0, -12,-403, 267,33.0,,N2 O1 S2 ,*, C,47,H,31,N,2,O,1,S,2,,,,,,,,,,,,,,,
     733, 567.099261,  0.1661,  370368.17,  566.4661,  567,   0,  -8,-466, 268,13.0,,O16 ,*, C,24,H,23,,,O,16,,,,,,,,,,,,,,,,,
     734, 637.177444,  0.4485,  620635.23,  636.4661,  637,   0,  -8,-466, 268,13.0,,O16 ,*, C,29,H,33,,,O,16,,,,,,,,,,,,,,,,,
     735, 665.208909,  1.0670,  622542.51,  664.4662,  665,   0,  -8,-466, 268,13.0,,O16 ,*, C,31,H,37,,,O,16,,,,,,,,,,,,,,,,,
     736, 521.171216,  1.0653, 1102796.37,  520.5894,  521,   0, -11, 411, 269, 0.0,,,No Hit
     737, 281.248606,  1.0457, 1465710.01,  280.9346,  281,   0, -13,  65, 270, 2.0,,O2 ,,C,18,H,33,,,O,2,,,,,,,,,,,,,,,,,
     738, 243.051035,  0.3196, 1649821.52,  242.7797,  243,   0,  -9, 220, 271, 5.0,,O7 ,,C,10,H,11,,,O,7,,,,,,,,,,,,,,,,,
     739, 257.066674,  1.0306, 1656529.40,  256.7797,  257,   0,  -9, 220, 271, 5.0,,O7 ,,C,11,H,13,,,O,7,,,,,,,,,,,,,,,,,
     740, 285.097968,  0.1902, 1528904.44,  284.7797,  285,   0,  -9, 220, 271, 5.0,,O7 ,,C,13,H,17,,,O,7,,,,,,,,,,,,,,,,,
     741, 791.244760,  1.0290,  226515.45,  790.3614,  791,   0,  -8,-361, 272,37.0,,O1 S2 ,*, C,56,H,39,,,O,1,S,2,,,,,,,,,,,,,,,
     742, 367.045907,  0.3286, 1077300.45,  366.6361,  367,   0, -11, 364, 273,14.0,,O8 ,,C,19,H,11,,,O,8,,,,,,,,,,,,,,,,,
     743, 381.061559,  0.3038, 1100448.39,  380.6361,  381,   0, -11, 364, 273,14.0,,O8 ,,C,20,H,13,,,O,8,,,,,,,,,,,,,,,,,
     744, 395.077219,  0.4361, 1015928.77,  394.6361,  395,   0, -11, 364, 273,14.0,,O8 ,,C,21,H,15,,,O,8,,,,,,,,,,,,,,,,,
     745, 409.092871,  0.7474, 1043748.09,  408.6361,  409,   0, -11, 364, 273,14.0,,O8 ,,C,22,H,17,,,O,8,,,,,,,,,,,,,,,,,
     746, 423.108523,  1.0254,  976639.02,  422.6361,  423,   0, -11, 364, 273,14.0,,O8 ,,C,23,H,19,,,O,8,,,,,,,,,,,,,,,,,
     747, 287.088471,  1.0238, 1481394.13,  286.7680,  287,   0,  -7, 232, 274, 5.0,,N2 O7 ,,C,11,H,15,N,2,O,7,,,,,,,,,,,,,,,,,
     748, 549.146110,  0.2510,  728869.52,  548.5330,  549,   0, -11, 467, 275, 8.0,,O16 ,,C,22,H,29,,,O,16,,,,,,,,,,,,,,,,,
     749, 563.161755,  1.0190,  701218.03,  562.5330,  563,   0, -11, 467, 275, 8.0,,O16 ,,C,23,H,31,,,O,16,,,,,,,,,,,,,,,,,
     750, 591.193067,  0.1722,  735900.85,  590.5330,  591,   0, -11, 467, 275, 8.0,,O16 ,,C,25,H,35,,,O,16,,,,,,,,,,,,,,,,,
     751, 435.150773,  1.0182,  935830.73,  434.6649,  435,   0, -13, 335, 276, 5.0,,O12 ,,C,18,H,27,,,O,12,,,,,,,,,,,,,,,,,
     752, 933.294236,  0.2555,  452272.07,  932.2523,  933,   0,  -6,-252, 277, 5.0,,O30 ,*, C,33,H,57,,,O,30,,,,,,,,,,,,,,,,,
     753, 947.309779,  0.1513,  479502.46,  946.2522,  947,   0,  -6,-252, 277, 5.0,,O30 ,*, C,34,H,59,,,O,30,,,,,,,,,,,,,,,,,
     754, 961.325621,  1.0179,  472310.37,  960.2523,  961,   0,  -6,-252, 277, 5.0,,O30 ,*, C,35,H,61,,,O,30,,,,,,,,,,,,,,,,,
     755, 773.234359,  1.0119,  240580.34,  772.3711,  773,   0, -12,-371, 278,38.0,,S2 ,*, C,56,H,37,,,,,S,2,,,,,,,,,,,,,,,
     756, 189.019352,  0.1193, 2044466.73,  188.8083,  189,   0,  -7, 192, 279, 8.0,,O4 ,,C,10,H,5,,,O,4,,,,,,,,,,,,,,,,,
     757, 203.034997,  0.7563, 2027845.89,  202.8083,  203,   0,  -7, 192, 279, 8.0,,O4 ,,C,11,H,7,,,O,4,,,,,,,,,,,,,,,,,
     758, 217.050643,  1.0092, 1859230.11,  216.8083,  217,   0,  -7, 192, 279, 8.0,,O4 ,,C,12,H,9,,,O,4,,,,,,,,,,,,,,,,,
     759, 245.081937,  0.3135, 1797659.54,  244.8083,  245,   0,  -7, 192, 279, 8.0,,O4 ,,C,14,H,13,,,O,4,,,,,,,,,,,,,,,,,
     760, 259.097580,  0.3065, 1584042.84,  258.8083,  259,   0,  -7, 192, 279, 8.0,,O4 ,,C,15,H,15,,,O,4,,,,,,,,,,,,,,,,,
     761, 417.283689,  1.0058,  938989.33,  416.8178,  417,   0,  -3, 182, 280, 0.0,,,No Hit
     762, 295.104597,  1.0052, 1201752.17,  294.7751,  295,   0, -13, 225, 281, 0.0,,,No Hit
     763, 723.203662,  1.0035,  595706.03,  722.3962,  723,   0,  -6,-396, 282,31.0,,O3 S2 ,,C,48,H,35,,,O,3,S,2,,,,,,,,,,,,,,,
     764, 575.146491,  0.2459,  730440.58,  574.5044,  575,   0, -13, 496, 283, 5.0,,O19 ,,C,20,H,31,,,O,19,,,,,,,,,,,,,,,,,
     765, 589.162166,  0.1716,  730288.99,  588.5044,  589,   0, -13, 496, 283, 5.0,,O19 ,,C,21,H,33,,,O,19,,,,,,,,,,,,,,,,,
     766, 603.177813,  0.3192,  680333.53,  602.5044,  603,   0, -13, 496, 283, 5.0,,O19 ,,C,22,H,35,,,O,19,,,,,,,,,,,,,,,,,
     767, 617.193486,  1.0013,  687654.28,  616.5044,  617,   0, -13, 496, 283, 5.0,,O19 ,,C,23,H,37,,,O,19,,,,,,,,,,,,,,,,,
     768, 645.224854,  0.2093,  626851.03,  644.5045,  645,   0, -13, 496, 283, 5.0,,O19 ,,C,25,H,41,,,O,19,,,,,,,,,,,,,,,,,
     769, 283.263416,  0.9984, 1289108.69,  282.9472,  283,   0, -11,  53, 284, 0.0,,,No Hit
     770, 277.092097,  0.9953, 1316257.30,  276.7827,  277,   0,  -3, 217, 285, 0.0,,,No Hit
     771, 989.317750,  0.9941,  171163.50,  988.2132,  989,   0,  -6,-213, 286,37.0,,O13 ,*, C,61,H,49,,,O,13,,,,,,,,,,,,,,,,,
     772,1049.341774,  0.9930,  431320.39, 1048.1702, 1049,   0,  -2,-170, 287, 6.0,,O33 ,*, C,38,H,65,,,O,33,,,,,,,,,,,,,,,,,
     773, 299.201652,  0.9928, 1386161.50,  298.8676,  299,   0,  -9, 132, 288, 7.0,,O2 ,,C,20,H,27,,,O,2,,,,,,,,,,,,,,,,,
     774, 481.156261,  0.9924,  845384.65,  480.6191,  481,   0,  -9, 381, 289, 5.0,,O14 ,,C,19,H,29,,,O,14,,,,,,,,,,,,,,,,,
     775, 445.314665,  0.9907,  904787.42,  444.8175,  445,   0,  -3, 183, 290, 6.0,,O2 S1 ,,C,28,H,45,,,O,2,S,1,,,,,,,,,,,,,,,
     776, 397.113992,  0.9906, 1049691.53,  396.6706,  397,   0,  -9, 329, 291, 8.0,,O10 ,,C,18,H,21,,,O,10,,,,,,,,,,,,,,,,,
     777, 445.098759,  0.2845,  893214.45,  444.6018,  445,   0,  -3, 398, 292, 8.0,,O13 ,,C,18,H,21,,,O,13,,,,,,,,,,,,,,,,,
     778, 459.114393,  0.7215,  914517.76,  458.6018,  459,   0,  -3, 398, 292, 8.0,,O13 ,,C,19,H,23,,,O,13,,,,,,,,,,,,,,,,,
     779, 473.130044,  0.6853,  862365.09,  472.6018,  473,   0,  -3, 398, 292, 8.0,,O13 ,,C,20,H,25,,,O,13,,,,,,,,,,,,,,,,,
     780, 487.145706,  0.4257,  785514.36,  486.6018,  487,   0,  -3, 398, 292, 8.0,,O13 ,,C,21,H,27,,,O,13,,,,,,,,,,,,,,,,,
     781, 501.161350,  0.9863,  784963.25,  500.6018,  501,   0,  -3, 398, 292, 8.0,,O13 ,,C,22,H,29,,,O,13,,,,,,,,,,,,,,,,,
     782, 551.171482,  0.9855,  711488.25,  550.5561,  551,   0,  -9, 444, 293,10.0,,N2 O5 S3 ,,C,26,H,35,N,2,O,5,S,3,,,,,,,,,,,,,,,
     783, 371.040831,  0.2446, 1099090.48,  370.6266,  371,   0,  -7, 373, 294,13.0,,O9 ,,C,18,H,11,,,O,9,,,,,,,,,,,,,,,,,
     784, 399.072134,  0.2445, 1072781.05,  398.6266,  399,   0,  -7, 373, 294,13.0,,O9 ,,C,20,H,15,,,O,9,,,,,,,,,,,,,,,,,
     785, 413.087787,  0.5279,  992856.28,  412.6266,  413,   0,  -7, 373, 294,13.0,,O9 ,,C,21,H,17,,,O,9,,,,,,,,,,,,,,,,,
     786, 427.103439,  0.7565,  966511.15,  426.6266,  427,   0,  -7, 373, 294,13.0,,O9 ,,C,22,H,19,,,O,9,,,,,,,,,,,,,,,,,
     787, 441.119082,  0.9847,  923868.82,  440.6266,  441,   0,  -7, 373, 294,13.0,,O9 ,,C,23,H,21,,,O,9,,,,,,,,,,,,,,,,,
     788, 369.102254,  0.9761, 1080053.87,  368.6902,  369,   0,  -9, 310, 295, 6.0,,O2 S3 ,,C,18,H,25,,,O,2,S,3,,,,,,,,,,,,,,,
     789, 579.336989,  0.1709,  884906.41,  578.6902,  579,   0,  -9, 310, 295, 6.0,,O2 S3 ,,C,33,H,55,,,O,2,S,3,,,,,,,,,,,,,,,
     790, 561.150743,  0.9708,  699722.69,  560.5242,  561,   0, -13, 476, 296, 0.0,,,No Hit
     791,1051.698217,  0.1762,   92005.25, 1050.5240, 1051,   0, -13, 476, 296, 0.0,,,No Hit
     792, 267.051022,  0.9702, 1543647.17,  266.7529,  267,   0, -13, 247, 297, 7.0,,O7 ,,C,12,H,11,,,O,7,,,,,,,,,,,,,,,,,
     793, 295.082325,  0.7753, 1449225.55,  294.7529,  295,   0, -13, 247, 297, 7.0,,O7 ,,C,14,H,15,,,O,7,,,,,,,,,,,,,,,,,
     794, 309.097970,  0.4897, 1386271.32,  308.7529,  309,   0, -13, 247, 297, 7.0,,O7 ,,C,15,H,17,,,O,7,,,,,,,,,,,,,,,,,
     795, 323.113612,  0.6022, 1292578.81,  322.7529,  323,   0, -13, 247, 297, 7.0,,O7 ,,C,16,H,19,,,O,7,,,,,,,,,,,,,,,,,
     796, 407.077227,  0.3792,  918528.49,  406.6227,  407,   0, -13, 377, 298,15.0,,O8 ,,C,22,H,15,,,O,8,,,,,,,,,,,,,,,,,
     797, 421.092866,  0.9699, 1008669.95,  420.6227,  421,   0, -13, 377, 298,15.0,,O8 ,,C,23,H,17,,,O,8,,,,,,,,,,,,,,,,,
     798, 375.114388,  0.9644, 1065466.31,  374.6956,  375,   0,  -3, 304, 299, 1.0,,O13 ,,C,12,H,23,,,O,13,,,,,,,,,,,,,,,,,
     799, 355.045911,  0.5716, 1135932.80,  354.6495,  355,   0,  -9, 350, 300,13.0,,O8 ,,C,18,H,11,,,O,8,,,,,,,,,,,,,,,,,
     800, 369.061564,  0.5343, 1126571.11,  368.6495,  369,   0,  -9, 350, 300,13.0,,O8 ,,C,19,H,13,,,O,8,,,,,,,,,,,,,,,,,
     801, 383.077217,  0.5429, 1053380.29,  382.6495,  383,   0,  -9, 350, 300,13.0,,O8 ,,C,20,H,15,,,O,8,,,,,,,,,,,,,,,,,
     802, 397.092871,  0.6181, 1042966.06,  396.6495,  397,   0,  -9, 350, 300,13.0,,O8 ,,C,21,H,17,,,O,8,,,,,,,,,,,,,,,,,
     803, 411.108521,  0.9643, 1031875.57,  410.6495,  411,   0,  -9, 350, 300,13.0,,O8 ,,C,22,H,19,,,O,8,,,,,,,,,,,,,,,,,
     804, 373.092864,  0.9633, 1096753.02,  372.6763,  373,   0,  -5, 324, 301,11.0,,O8 ,,C,19,H,17,,,O,8,,,,,,,,,,,,,,,,,
     805, 177.040485,  0.9616, 2277932.89,  176.8428,  177,   0,  -5, 157, 302, 2.0,,O6 ,,C,6,H,9,,,O,6,,,,,,,,,,,,,,,,,
     806, 387.275204,  0.4304, 1023686.70,  386.8428,  387,   0,  -5, 157, 302, 2.0,,O6 ,,C,21,H,39,,,O,6,,,,,,,,,,,,,,,,,
     807, 415.306513,  0.4979,  982609.74,  414.8428,  415,   0,  -5, 157, 302, 2.0,,O6 ,,C,23,H,43,,,O,6,,,,,,,,,,,,,,,,,
     808, 459.162960,  0.9609,  892065.01,  458.6503,  459,   0,  -3, 350, 303, 3.0,,O14 13C2 ,#, C,15,H,29,,,O,14,,,,,13C,2, ,,,,,,,,,,
     809, 405.128804,  0.9576, 1042893.29,  404.6765,  405,   0,  -1, 324, 304, 0.0,,,No Hit
     810, 524.975387,  0.9564,  790972.28,  524.3893,  525,   0,  -8,-389, 305,11.0,,N2 O20 ,,C,14,H,9,N,2,O,20,,,,,,,,,,,,,,,,,
     811, 515.161760,  0.9538,  776344.62,  514.5866,  515,   0,  -3, 413, 306, 4.0,,O16 ,,C,19,H,31,,,O,16,,,,,,,,,,,,,,,,,
     812, 565.187135,  0.9531,  708973.04,  564.5561,  565,   0,  -9, 444, 307,10.0,,N2 O5 S3 ,,C,27,H,37,N,2,O,5,S,3,,,,,,,,,,,,,,,
     813, 293.045547,  0.3659, 1387790.51,  292.7184,  293,   0,  -1, 282, 308,13.0,,O5 ,,C,17,H,9,,,O,5,,,,,,,,,,,,,,,,,
     814, 307.061194,  0.9512, 1369259.03,  306.7184,  307,   0,  -1, 282, 308,13.0,,O5 ,,C,18,H,11,,,O,5,,,,,,,,,,,,,,,,,
     815, 487.155421,  0.9482,  822502.39,  486.6115,  487,   0,  -3, 388, 309,11.0,,N2 O2 S3 ,,C,25,H,31,N,2,O,2,S,3,,,,,,,,,,,,,,,
     816, 445.135122,  0.9432,  910668.70,  444.6382,  445,   0,  -3, 362, 310, 7.0,,O12 ,,C,19,H,25,,,O,12,,,,,,,,,,,,,,,,,
     817, 861.252065,  0.1662,  499801.33,  860.2905,  861,   0,  -8,-291, 311, 9.0,,O26 ,*, C,33,H,49,,,O,26,,,,,,,,,,,,,,,,,
     818, 889.283316,  0.9423,  505734.90,  888.2905,  889,   0,  -8,-290, 311, 9.0,,O26 ,*, C,35,H,53,,,O,26,,,,,,,,,,,,,,,,,
     819, 359.040654,  0.9414, 1199654.06,  358.6398,  359,   0,  -5, 360, 312, 0.0,,,No Hit
     820, 197.022242,  0.9384, 2063386.54,  196.8023,  197,   0, -13, 198, 313, 0.0,,,No Hit
     821, 567.156668,  0.2838,  712474.58,  566.5235,  567,   0,  -7, 477, 314, 7.0,,O17 ,,C,22,H,31,,,O,17,,,,,,,,,,,,,,,,,
     822, 581.172329,  0.9335,  677741.38,  580.5235,  581,   0,  -7, 477, 314, 7.0,,O17 ,,C,23,H,33,,,O,17,,,,,,,,,,,,,,,,,
     823, 283.082323,  0.9277, 1465318.67,  282.7663,  283,   0, -11, 234, 315, 6.0,,O7 ,,C,13,H,15,,,O,7,,,,,,,,,,,,,,,,,
     824, 441.149930,  0.9207,  949750.46,  440.6574,  441,   0,  -7, 343, 316,11.0,,N2 S3 ,,C,24,H,29,N,2,,,S,3,,,,,,,,,,,,,,,
     825, 355.082305,  0.9194, 1171662.83,  354.6859,  355,   0,  -9, 314, 317,12.0,,O7 ,,C,19,H,15,,,O,7,,,,,,,,,,,,,,,,,
     826, 667.218897,  0.9145,  622422.55,  666.4740,  667,   0,  -6,-474, 318,11.0,,N2 O8 S3 ,,C,31,H,43,N,2,O,8,S,3,,,,,,,,,,,,,,,
     827, 625.162170,  0.1996,  590751.78,  624.4642,  625,   0,  -6,-464, 319, 8.0,,O19 ,,C,24,H,33,,,O,19,,,,,,,,,,,,,,,,,
     828, 639.177819,  0.8645,  650338.01,  638.4642,  639,   0,  -6,-464, 319, 8.0,,O19 ,,C,25,H,35,,,O,19,,,,,,,,,,,,,,,,,
     829, 653.193470,  0.9100,  622844.79,  652.4642,  653,   0,  -6,-464, 319, 8.0,,O19 ,,C,26,H,37,,,O,19,,,,,,,,,,,,,,,,,
     830, 681.224784,  0.1756,  547400.89,  680.4642,  681,   0,  -6,-464, 319, 8.0,,O19 ,,C,28,H,41,,,O,19,,,,,,,,,,,,,,,,,
     831, 489.103817,  0.2786,  800652.43,  488.5578,  489,   0,  -1, 442, 320,13.0,,O12 ,,C,23,H,21,,,O,12,,,,,,,,,,,,,,,,,
     832, 503.119490,  0.9021,  808338.06,  502.5578,  503,   0,  -1, 442, 320,13.0,,O12 ,,C,24,H,23,,,O,12,,,,,,,,,,,,,,,,,
     833, 487.103796,  0.8989,  889287.93,  486.5600,  487,   0,  -3, 440, 321, 8.0,,N2 O6 S3 ,,C,20,H,27,N,2,O,6,S,3,,,,,,,,,,,,,,,
     834, 317.087797,  0.8986, 1341855.18,  316.7338,  317,   0,  -5, 266, 322, 5.0,,O9 ,,C,13,H,17,,,O,9,,,,,,,,,,,,,,,,,
     835, 179.035005,  0.3781, 2181314.35,  178.8351,  179,   0,  -3, 165, 323, 6.0,,O4 ,,C,9,H,7,,,O,4,,,,,,,,,,,,,,,,,
     836, 193.050652,  0.5805, 2068966.10,  192.8351,  193,   0,  -3, 165, 323, 6.0,,O4 ,,C,10,H,9,,,O,4,,,,,,,,,,,,,,,,,
     837, 207.066296,  0.8986, 1933256.30,  206.8351,  207,   0,  -3, 165, 323, 6.0,,O4 ,,C,11,H,11,,,O,4,,,,,,,,,,,,,,,,,
     838, 275.038403,  0.8964, 1528568.65,  274.7313,  275,   0,  -5, 269, 324, 9.0,,O4 S1 ,,C,14,H,11,,,O,4,S,1,,,,,,,,,,,,,,,
     839, 373.056480,  0.4251, 1076955.46,  372.6400,  373,   0,  -5, 360, 325,12.0,,O9 ,,C,18,H,13,,,O,9,,,,,,,,,,,,,,,,,
     840, 387.072123,  0.4294, 1059981.38,  386.6400,  387,   0,  -5, 360, 325,12.0,,O9 ,,C,19,H,15,,,O,9,,,,,,,,,,,,,,,,,
     841, 401.087764,  0.4617, 1020008.09,  400.6400,  401,   0,  -5, 360, 325,12.0,,O9 ,,C,20,H,17,,,O,9,,,,,,,,,,,,,,,,,
     842, 415.103435,  0.6790, 1003479.75,  414.6400,  415,   0,  -5, 360, 325,12.0,,O9 ,,C,21,H,19,,,O,9,,,,,,,,,,,,,,,,,
     843, 429.119080,  0.8923,  976261.68,  428.6400,  429,   0,  -5, 360, 325,12.0,,O9 ,,C,22,H,21,,,O,9,,,,,,,,,,,,,,,,,
     844, 301.092887,  0.8922, 1408889.56,  300.7567,  301,   0,  -7, 243, 326, 5.0,,O8 ,,C,13,H,17,,,O,8,,,,,,,,,,,,,,,,,
     845, 299.098369,  0.8920, 1403658.07,  298.7644,  299,   0,  -9, 236, 327, 1.0,,O10 ,,C,10,H,19,,,O,10,,,,,,,,,,,,,,,,,
     846, 377.083935,  0.8860, 1039604.97,  376.6629,  377,   0,  -1, 337, 328, 6.0,,N2 O11 ,,C,13,H,17,N,2,O,11,,,,,,,,,,,,,,,,,
     847, 683.180742,  0.8808,  549092.35,  682.4180,  683,   0,  -4,-418, 329,44.0,,HC,,C,55,H,23,,,,,,,,,,,,,,,,,,,,,
     848, 383.117763,  0.8803, 1058730.92,  382.6900,  383,   0,  -9, 310, 330, 6.0,,O2 S3 ,,C,19,H,27,,,O,2,S,3,,,,,,,,,,,,,,,
     849, 607.368004,  0.1802,  788844.66,  606.6899,  607,   0,  -9, 310, 330, 6.0,,O2 S3 ,,C,35,H,59,,,O,2,S,3,,,,,,,,,,,,,,,
     850, 661.183337,  0.1792,  563275.88,  660.4452,  661,   0, -12,-445, 331, 6.0,,O21 ,*, C,24,H,37,,,O,21,,,,,,,,,,,,,,,,,
     851, 675.198977,  0.8768,  632156.50,  674.4451,  675,   0, -12,-445, 331, 6.0,,O21 ,*, C,25,H,39,,,O,21,,,,,,,,,,,,,,,,,
     852, 717.245953,  0.3104,  632308.75,  716.4452,  717,   0, -12,-445, 331, 6.0,,O21 ,*, C,28,H,45,,,O,21,,,,,,,,,,,,,,,,,
     853, 453.103835,  0.3208,  909671.21,  452.5980,  453,   0,  -9, 402, 332,10.0,,O12 ,,C,20,H,21,,,O,12,,,,,,,,,,,,,,,,,
     854, 467.119477,  0.4252,  896391.43,  466.5980,  467,   0,  -9, 402, 332,10.0,,O12 ,,C,21,H,23,,,O,12,,,,,,,,,,,,,,,,,
     855, 481.135129,  0.7610,  841530.92,  480.5980,  481,   0,  -9, 402, 332,10.0,,O12 ,,C,22,H,25,,,O,12,,,,,,,,,,,,,,,,,
     856, 495.150791,  0.8733,  813267.29,  494.5980,  495,   0,  -9, 402, 332,10.0,,O12 ,,C,23,H,27,,,O,12,,,,,,,,,,,,,,,,,
     857, 641.172354,  0.1597,  470203.85,  640.4565,  641,   0,  -4,-457, 333,12.0,,O17 ,*, C,28,H,33,,,O,17,,,,,,,,,,,,,,,,,
     858, 655.187987,  0.8718,  636578.87,  654.4565,  655,   0,  -4,-457, 333,12.0,,O17 ,*, C,29,H,35,,,O,17,,,,,,,,,,,,,,,,,
     859, 683.219133,  0.4990,  646297.23,  682.4564,  683,   0,  -4,-456, 333,12.0,,O17 ,*, C,31,H,39,,,O,17,,,,,,,,,,,,,,,,,
     860, 505.168430,  0.8714,  744720.11,  504.6044,  505,   0, -13, 396, 334, 3.0,,O16 13C2 ,#, C,16,H,31,,,O,16,,,,,13C,2, ,,,,,,,,,,
     861, 647.159595,  0.8545,  627629.71,  646.4371,  647,   0, -12,-437, 335, 0.0,,,No Hit
     862, 371.077213,  0.8489, 1111589.32,  370.6629,  371,   0,  -7, 337, 336,12.0,,O8 ,,C,19,H,15,,,O,8,,,,,,,,,,,,,,,,,
     863, 409.077605,  0.3507, 1038977.20,  408.6209,  409,   0, -11, 379, 337,10.0,,O11 ,,C,18,H,17,,,O,11,,,,,,,,,,,,,,,,,
     864, 423.093259,  0.4338,  979637.18,  422.6209,  423,   0, -11, 379, 337,10.0,,O11 ,,C,19,H,19,,,O,11,,,,,,,,,,,,,,,,,
     865, 437.108915,  0.5661,  959676.71,  436.6209,  437,   0, -11, 379, 337,10.0,,O11 ,,C,20,H,21,,,O,11,,,,,,,,,,,,,,,,,
     866, 451.124559,  0.5299,  925939.67,  450.6209,  451,   0, -11, 379, 337,10.0,,O11 ,,C,21,H,23,,,O,11,,,,,,,,,,,,,,,,,
     867, 465.140218,  0.8455,  884812.80,  464.6209,  465,   0, -11, 379, 337,10.0,,O11 ,,C,22,H,25,,,O,11,,,,,,,,,,,,,,,,,
     868, 719.201994,  0.8449,  512937.90,  718.3990,  719,   0, -10,-399, 338,42.0,,O2 ,,C,55,H,27,,,O,2,,,,,,,,,,,,,,,,,
     869, 419.138128,  0.8424,  982318.86,  418.6702,  419,   0,  -1, 330, 339, 5.0,,O9 S1 ,,C,18,H,27,,,O,9,S,1,,,,,,,,,,,,,,,
     870, 227.065839,  0.1923, 1939617.71,  226.8123,  227,   0, -11, 188, 340, 5.0,,O3 S1 13C2 ,#, C,9,H,13,,,O,3,S,1,,,13C,2, ,,,,,,,,,,
     871, 241.081493,  0.2024, 1661796.63,  240.8123,  241,   0, -11, 188, 340, 5.0,,O3 S1 13C2 ,#, C,10,H,15,,,O,3,S,1,,,13C,2, ,,,,,,,,,,
     872, 437.300598,  0.8393,  902767.11,  436.8124,  437,   0, -11, 188, 340, 5.0,,O3 S1 13C2 ,#, C,24,H,43,,,O,3,S,1,,,13C,2, ,,,,,,,,,,
     873, 465.331885,  0.7899,  881768.43,  464.8124,  465,   0, -11, 188, 340, 5.0,,O3 S1 13C2 ,#, C,26,H,47,,,O,3,S,1,,,13C,2, ,,,,,,,,,,
     874, 795.224842,  0.8391,  544475.79,  794.3370,  795,   0,  -4,-337, 341, 0.0,,,No Hit
     875,1007.328317,  0.8366,  476303.29, 1006.2037, 1007,   0,  -2,-204, 342,36.0,,O14 ,*, C,61,H,51,,,O,14,,,,,,,,,,,,,,,,,
     876, 427.124563,  0.8350,  955143.99,  426.6477,  427,   0,  -7, 352, 343, 8.0,,O11 ,,C,19,H,23,,,O,11,,,,,,,,,,,,,,,,,
     877, 363.108518,  0.8324, 1139367.60,  362.7031,  363,   0,  -1, 297, 344, 9.0,,O8 ,,C,18,H,19,,,O,8,,,,,,,,,,,,,,,,,
     878, 417.082712,  0.2736, 1010626.90,  416.6171,  417,   0,  -3, 383, 345,12.0,,O10 ,,C,20,H,17,,,O,10,,,,,,,,,,,,,,,,,
     879, 431.098346,  0.4616,  986715.50,  430.6170,  431,   0,  -3, 383, 345,12.0,,O10 ,,C,21,H,19,,,O,10,,,,,,,,,,,,,,,,,
     880, 445.113993,  0.5405,  899232.41,  444.6170,  445,   0,  -3, 383, 345,12.0,,O10 ,,C,22,H,21,,,O,10,,,,,,,,,,,,,,,,,
     881, 459.129651,  0.8258,  910422.64,  458.6171,  459,   0,  -3, 383, 345,12.0,,O10 ,,C,23,H,23,,,O,10,,,,,,,,,,,,,,,,,
     882, 663.177837,  0.1869,  606645.93,  662.4374,  663,   0, -10,-437, 346,10.0,,O19 ,*, C,27,H,35,,,O,19,,,,,,,,,,,,,,,,,
     883, 677.193564,  0.1776,  458151.87,  676.4375,  677,   0, -10,-438, 346,10.0,,O19 ,*, C,28,H,37,,,O,19,,,,,,,,,,,,,,,,,
     884, 691.209184,  0.8201,  616110.93,  690.4375,  691,   0, -10,-437, 346,10.0,,O19 ,*, C,29,H,39,,,O,19,,,,,,,,,,,,,,,,,
     885, 717.209601,  0.4226,  613415.35,  716.4089,  717,   0, -12,-409, 347, 7.0,,O22 ,*, C,27,H,41,,,O,22,,,,,,,,,,,,,,,,,
     886, 731.225255,  0.2111,  643099.03,  730.4089,  731,   0, -12,-409, 347, 7.0,,O22 ,*, C,28,H,43,,,O,22,,,,,,,,,,,,,,,,,
     887, 745.240861,  0.8119,  588102.61,  744.4088,  745,   0, -12,-409, 347, 7.0,,O22 ,*, C,29,H,45,,,O,22,,,,,,,,,,,,,,,,,
     888, 325.114009,  0.8116, 1277881.67,  324.7510,  325,   0, -11, 249, 348, 2.0,,O10 ,,C,12,H,21,,,O,10,,,,,,,,,,,,,,,,,
     889, 419.292494,  0.7108,  949768.32,  418.8244,  419,   0,  -1, 176, 349, 2.0,,O7 13C2 ,#, C,20,H,41,,,O,7,,,,,13C,2, ,,,,,,,,,,
     890, 447.323796,  0.8114,  899726.66,  446.8244,  447,   0,  -1, 176, 349, 2.0,,O7 13C2 ,#, C,22,H,45,,,O,7,,,,,13C,2, ,,,,,,,,,,
     891, 317.103058,  0.8067, 1304862.04,  316.7490,  317,   0,  -5, 251, 350, 9.0,,O6 ,,C,17,H,17,,,O,6,,,,,,,,,,,,,,,,,
     892, 451.145701,  0.7966,  915117.50,  450.6420,  451,   0, -11, 358, 351, 5.0,,O13 ,,C,18,H,27,,,O,13,,,,,,,,,,,,,,,,,
     893, 343.103437,  0.7916, 1203458.94,  342.7204,  343,   0,  -7, 280, 352, 6.0,,O9 ,,C,15,H,19,,,O,9,,,,,,,,,,,,,,,,,
     894, 507.135525,  0.7889,  800788.69,  506.5693,  507,   0, -11, 431, 353, 7.0,,O15 ,,C,20,H,27,,,O,15,,,,,,,,,,,,,,,,,
     895, 535.166827,  0.4345,  749014.90,  534.5693,  535,   0, -11, 431, 353, 7.0,,O15 ,,C,22,H,31,,,O,15,,,,,,,,,,,,,,,,,
     896, 549.182472,  0.6319,  731006.52,  548.5693,  549,   0, -11, 431, 353, 7.0,,O15 ,,C,23,H,33,,,O,15,,,,,,,,,,,,,,,,,
     897, 689.214661,  0.7841,  603651.47,  688.4452,  689,   0, -12,-445, 354, 6.0,,O21 ,*, C,26,H,41,,,O,21,,,,,,,,,,,,,,,,,
     898, 359.118003,  0.7808, 1079927.41,  358.7171,  359,   0,  -5, 283, 355, 4.0,,O2 S3 ,,C,17,H,27,,,O,2,S,3,,,,,,,,,,,,,,,
     899, 199.040085,  0.7803, 2025538.32,  198.8179,  199,   0, -11, 182, 356, 9.0,,O3 ,,C,12,H,7,,,O,3,,,,,,,,,,,,,,,,,
     900, 227.071377,  0.2027, 1618137.47,  226.8179,  227,   0, -11, 182, 356, 9.0,,O3 ,,C,14,H,11,,,O,3,,,,,,,,,,,,,,,,,
     901, 241.087024,  0.1732, 1472395.17,  240.8179,  241,   0, -11, 182, 356, 9.0,,O3 ,,C,15,H,13,,,O,3,,,,,,,,,,,,,,,,,
     902, 667.221371,  0.7787,  629033.94,  666.4764,  667,   0,  -6,-476, 357, 4.0,,O21 13C2 ,#, C,22,H,41,,,O,21,,,,,13C,2, ,,,,,,,,,,
     903, 379.067046,  0.2556, 1055584.20,  378.6438,  379,   0, -13, 356, 358,10.0,,O10 ,,C,17,H,15,,,O,10,,,,,,,,,,,,,,,,,
     904, 393.082699,  0.7767, 1043532.09,  392.6438,  393,   0, -13, 356, 358,10.0,,O10 ,,C,18,H,17,,,O,10,,,,,,,,,,,,,,,,,
     905, 421.113998,  0.4666, 1003853.43,  420.6438,  421,   0, -13, 356, 358,10.0,,O10 ,,C,20,H,21,,,O,10,,,,,,,,,,,,,,,,,
     906, 435.129648,  0.4008,  939316.29,  434.6438,  435,   0, -13, 356, 358,10.0,,O10 ,,C,21,H,23,,,O,10,,,,,,,,,,,,,,,,,
     907, 449.145288,  0.4125,  907363.88,  448.6438,  449,   0, -13, 356, 358,10.0,,O10 ,,C,22,H,25,,,O,10,,,,,,,,,,,,,,,,,
     908, 409.114000,  0.7707, 1003101.69,  408.6572,  409,   0, -11, 343, 359, 9.0,,O10 ,,C,19,H,21,,,O,10,,,,,,,,,,,,,,,,,
     909, 509.130046,  0.7576,  797229.35,  508.5616,  509,   0,  -9, 438, 360,11.0,,O13 ,*, C,23,H,25,,,O,13,,,,,,,,,,,,,,,,,
     910, 523.145724,  0.7668,  752840.50,  522.5617,  523,   0,  -9, 438, 360,11.0,,O13 ,*, C,24,H,27,,,O,13,,,,,,,,,,,,,,,,,
     911, 523.124962,  0.7661,  832025.10,  522.5409,  523,   0,  -9, 459, 361, 6.0,,N2 O8 S3 ,,C,20,H,31,N,2,O,8,S,3,,,,,,,,,,,,,,,
     912, 261.061587,  0.5044, 1600679.33,  260.7701,  261,   0,  -5, 230, 362, 4.0,,O8 ,,C,10,H,13,,,O,8,,,,,,,,,,,,,,,,,
     913, 275.077235,  0.7600, 1545965.11,  274.7701,  275,   0,  -5, 230, 362, 4.0,,O8 ,,C,11,H,15,,,O,8,,,,,,,,,,,,,,,,,
     914, 289.092886,  0.7639, 1457278.54,  288.7701,  289,   0,  -5, 230, 362, 4.0,,O8 ,,C,12,H,17,,,O,8,,,,,,,,,,,,,,,,,
     915, 485.108909,  0.7587,  816778.46,  484.5673,  485,   0,  -5, 433, 363,14.0,,O11 ,,C,24,H,21,,,O,11,,,,,,,,,,,,,,,,,
     916, 453.082724,  0.2910,  939420.35,  452.5769,  453,   0,  -9, 423, 364,15.0,,O10 ,*, C,23,H,17,,,O,10,,,,,,,,,,,,,,,,,
     917, 467.098342,  0.7547,  879993.74,  466.5768,  467,   0,  -9, 423, 364,15.0,,O10 ,*, C,24,H,19,,,O,10,,,,,,,,,,,,,,,,,
     918, 435.093276,  0.2847,  960370.71,  434.6075,  435,   0, -13, 392, 365,11.0,,O11 ,,C,20,H,19,,,O,11,,,,,,,,,,,,,,,,,
     919, 449.108894,  0.3717,  879300.11,  448.6075,  449,   0, -13, 393, 365,11.0,,O11 ,,C,21,H,21,,,O,11,,,,,,,,,,,,,,,,,
     920, 463.124558,  0.5550,  870042.94,  462.6075,  463,   0, -13, 392, 365,11.0,,O11 ,,C,22,H,23,,,O,11,,,,,,,,,,,,,,,,,
     921, 477.140206,  0.7506,  830792.80,  476.6075,  477,   0, -13, 392, 365,11.0,,O11 ,,C,23,H,25,,,O,11,,,,,,,,,,,,,,,,,
     922, 391.103434,  0.7487, 1049744.72,  390.6668,  391,   0,  -1, 333, 366,10.0,,O9 ,,C,19,H,19,,,O,9,,,,,,,,,,,,,,,,,
     923, 661.219722,  0.7436,  666910.65,  660.4815,  661,   0, -12,-482, 367, 5.0,,O20 ,*, C,25,H,41,,,O,20,,,,,,,,,,,,,,,,,
     924, 897.273147,  0.2387,  507960.43,  896.2714,  897,   0, -14,-271, 368, 7.0,,O28 ,*, C,33,H,53,,,O,28,,,,,,,,,,,,,,,,,
     925, 925.304458,  0.7353,  494899.07,  924.2714,  925,   0, -14,-271, 368, 7.0,,O28 ,*, C,35,H,57,,,O,28,,,,,,,,,,,,,,,,,
     926, 247.061196,  0.7321, 1652418.20,  246.7854,  247,   0,  -5, 215, 369, 8.0,,O5 ,,C,13,H,11,,,O,5,,,,,,,,,,,,,,,,,
     927, 423.072127,  0.2634,  943663.52,  422.5998,  423,   0, -11, 400, 370,15.0,,O9 ,,C,22,H,15,,,O,9,,,,,,,,,,,,,,,,,
     928, 437.087780,  0.7308,  951571.28,  436.5998,  437,   0, -11, 400, 370,15.0,,O9 ,,C,23,H,17,,,O,9,,,,,,,,,,,,,,,,,
     929, 755.246386,  0.7297,  578049.10,  754.4032,  755,   0,  -2,-403, 371, 4.0,,O24 ,*, C,27,H,47,,,O,24,,,,,,,,,,,,,,,,,
     930, 545.151173,  0.7296,  714379.01,  544.5425,  545,   0,  -1, 457, 372, 9.0,,O15 ,,C,23,H,29,,,O,15,,,,,,,,,,,,,,,,,
     931, 573.182459,  0.1732,  696729.33,  572.5425,  573,   0,  -1, 457, 372, 9.0,,O15 ,,C,25,H,33,,,O,15,,,,,,,,,,,,,,,,,
     932, 325.105070,  0.7283, 1293820.63,  324.7421,  325,   0, -11, 258, 373, 3.0,,O10 13C2 ,#, C,10,H,19,,,O,10,,,,,13C,2, ,,,,,,,,,,
     933, 521.151178,  0.7280,  777620.28,  520.5693,  521,   0, -11, 431, 374, 7.0,,O15 ,,C,21,H,29,,,O,15,,,,,,,,,,,,,,,,,
     934, 297.110160,  0.7265, 1436230.05,  296.7785,  297,   0, -11, 222, 375, 2.0,,O9 13C2 ,#, C,9,H,19,,,O,9,,,,,13C,2, ,,,,,,,,,,
     935, 455.062296,  0.7246,  934451.12,  454.5542,  455,   0,  -7, 446, 376, 5.0,,N2 O8 S3 ,,C,15,H,23,N,2,O,8,S,3,,,,,,,,,,,,,,,
     936, 455.098351,  0.7208,  901820.28,  454.5903,  455,   0,  -7, 410, 377,14.0,,O10 ,,C,23,H,19,,,O,10,,,,,,,,,,,,,,,,,
     937, 483.129648,  0.2680,  884942.20,  482.5903,  483,   0,  -7, 410, 377,14.0,,O10 ,,C,25,H,23,,,O,10,,,,,,,,,,,,,,,,,
     938, 305.043350,  0.7205, 1355375.08,  304.7028,  305,   0,  -3, 297, 378, 0.0,,,No Hit
     939, 723.220138,  0.7143,  591667.90,  722.4127,  723,   0,  -6,-413, 379, 5.0,,O23 ,*, C,26,H,43,,,O,23,,,,,,,,,,,,,,,,,
     940, 765.267196,  0.1874,  595376.62,  764.4128,  765,   0,  -6,-413, 379, 5.0,,O23 ,*, C,29,H,49,,,O,23,,,,,,,,,,,,,,,,,
     941, 343.115629,  0.7073, 1203399.84,  342.7326,  343,   0,  -7, 267, 380, 2.0,,O11 13C2 ,#, C,10,H,21,,,O,11,,,,,13C,2, ,,,,,,,,,,
     942, 371.108066,  0.7043, 1118708.73,  370.6937,  371,   0,  -7, 306, 381, 0.0,,,No Hit
     943, 463.145689,  0.7042,  891262.56,  462.6286,  463,   0, -13, 371, 382, 6.0,,O13 ,,C,19,H,27,,,O,13,,,,,,,,,,,,,,,,,
     944, 461.130049,  0.7019,  880476.22,  460.6152,  461,   0,  -1, 385, 383, 7.0,,O13 ,,C,19,H,25,,,O,13,,,,,,,,,,,,,,,,,
     945, 449.127592,  0.6979,  854712.91,  448.6262,  449,   0, -13, 374, 384,10.0,,O8 S1 ,,C,22,H,25,,,O,8,S,1,,,,,,,,,,,,,,,
     946, 619.204184,  0.6970,  682567.82,  618.5129,  619,   0, -11, 487, 385,12.0,,O9 S2 ,,C,31,H,39,,,O,9,S,2,,,,,,,,,,,,,,,
     947, 391.067056,  0.3442, 1067221.61,  390.6304,  391,   0,  -1, 370, 386,11.0,,O10 ,,C,18,H,15,,,O,10,,,,,,,,,,,,,,,,,
     948, 405.082704,  0.3400, 1156970.31,  404.6304,  405,   0,  -1, 370, 386,11.0,,O10 ,,C,19,H,17,,,O,10,,,,,,,,,,,,,,,,,
     949, 419.098345,  0.4926, 1044536.43,  418.6304,  419,   0,  -1, 370, 386,11.0,,O10 ,,C,20,H,19,,,O,10,,,,,,,,,,,,,,,,,
     950, 433.113990,  0.5729,  993678.69,  432.6304,  433,   0,  -1, 370, 386,11.0,,O10 ,,C,21,H,21,,,O,10,,,,,,,,,,,,,,,,,
     951, 447.129646,  0.6948,  905413.48,  446.6304,  447,   0,  -1, 370, 386,11.0,,O10 ,,C,22,H,23,,,O,10,,,,,,,,,,,,,,,,,
     952, 587.286209,  0.2580,  725446.54,  586.6305,  587,   0,  -1, 369, 386,11.0,,O10 ,,C,32,H,43,,,O,10,,,,,,,,,,,,,,,,,
     953, 389.087776,  0.6938, 1060807.25,  388.6534,  389,   0,  -3, 347, 387,11.0,,O9 ,,C,19,H,17,,,O,9,,,,,,,,,,,,,,,,,
     954, 405.131273,  0.6913, 1042750.10,  404.6790,  405,   0,  -1, 321, 388, 6.0,,O11 13C2 ,#, C,15,H,23,,,O,11,,,,,13C,2, ,,,,,,,,,,
     955, 449.087789,  0.6905,  943679.41,  448.5864,  449,   0, -13, 414, 389,16.0,,O9 ,,C,24,H,17,,,O,9,,,,,,,,,,,,,,,,,
     956, 719.204122,  0.6878,  579208.75,  718.4012,  719,   0, -10,-401, 390,11.0,,O20 ,*, C,30,H,39,,,O,20,,,,,,,,,,,,,,,,,
     957, 624.969030,  0.6848,  662321.72,  624.2713,  625,   0,  -6,-271, 391, 3.0,,O22 S3 ,,C,13,H,21,,,O,22,S,3,,,,,,,,,,,,,,,
     958, 497.151182,  0.6835,  817112.69,  496.5961,  497,   0,  -7, 404, 392, 5.0,,O15 ,,C,19,H,29,,,O,15,,,,,,,,,,,,,,,,,
     959, 281.066670,  0.6795, 1508874.97,  280.7529,  281,   0, -13, 247, 393, 7.0,,O7 ,,C,13,H,13,,,O,7,,,,,,,,,,,,,,,,,
     960, 471.114409,  0.3999,  865455.62,  470.5884,  471,   0,  -5, 412, 394, 9.0,,O13 ,,C,20,H,23,,,O,13,,,,,,,,,,,,,,,,,
     961, 485.130042,  0.5025,  846005.46,  484.5884,  485,   0,  -5, 412, 394, 9.0,,O13 ,,C,21,H,25,,,O,13,,,,,,,,,,,,,,,,,
     962, 499.145700,  0.5617,  839394.93,  498.5884,  499,   0,  -5, 412, 394, 9.0,,O13 ,,C,22,H,27,,,O,13,,,,,,,,,,,,,,,,,
     963, 513.161353,  0.6775,  776160.77,  512.5884,  513,   0,  -5, 412, 394, 9.0,,O13 ,,C,23,H,29,,,O,13,,,,,,,,,,,,,,,,,
     964, 513.124956,  0.2154,  776310.79,  512.5521,  513,   0,  -5, 448, 395,10.0,,O14 ,*, C,22,H,25,,,O,14,,,,,,,,,,,,,,,,,
     965, 527.140623,  0.6759,  767320.13,  526.5521,  527,   0,  -5, 448, 395,10.0,,O14 ,*, C,23,H,27,,,O,14,,,,,,,,,,,,,,,,,
     966, 299.077243,  0.6752, 1424136.00,  298.7433,  299,   0,  -9, 257, 396, 6.0,,O8 ,,C,13,H,15,,,O,8,,,,,,,,,,,,,,,,,
     967, 521.093519,  0.6718,  756053.96,  520.5117,  521,   0, -11, 488, 397,13.0,,O14 ,,C,23,H,21,,,O,14,,,,,,,,,,,,,,,,,
     968, 563.140608,  0.1970,  732520.68,  562.5119,  563,   0, -11, 488, 397,13.0,,O14 ,,C,26,H,27,,,O,14,,,,,,,,,,,,,,,,,
     969, 577.156259,  0.2618,  704086.46,  576.5119,  577,   0, -11, 488, 397,13.0,,O14 ,,C,27,H,29,,,O,14,,,,,,,,,,,,,,,,,
     970, 591.171963,  0.3392,  719524.49,  590.5119,  591,   0, -11, 488, 397,13.0,,O14 ,,C,28,H,31,,,O,14,,,,,,,,,,,,,,,,,
     971, 521.168904,  0.6670,  773367.94,  520.5870,  521,   0, -11, 413, 398, 0.0,,,No Hit
     972, 333.081465,  0.6654, 1204557.17,  332.7096,  333,   0,  -3, 290, 399, 0.0,,,No Hit
     973, 543.316161,  0.5779,  200999.51,  542.7096,  543,   0,  -3, 290, 399, 0.0,,,No Hit
     974,1033.863740,  0.1580,  495750.69, 1032.7095, 1033,   0,  -3, 291, 399, 0.0,,,No Hit
     975, 325.055192,  0.6644, 1306027.44,  324.6923,  325,   0, -11, 308, 400, 0.0,,,No Hit
     976, 227.034987,  0.2474, 1903982.51,  226.7815,  227,   0, -11, 218, 401,10.0,,O4 ,,C,13,H,7,,,O,4,,,,,,,,,,,,,,,,,
     977, 241.050638,  0.4328, 1732734.09,  240.7815,  241,   0, -11, 218, 401,10.0,,O4 ,,C,14,H,9,,,O,4,,,,,,,,,,,,,,,,,
     978, 255.066280,  0.4852, 1658439.92,  254.7815,  255,   0, -11, 218, 401,10.0,,O4 ,,C,15,H,11,,,O,4,,,,,,,,,,,,,,,,,
     979, 269.081926,  0.6641, 1574924.68,  268.7815,  269,   0, -11, 218, 401,10.0,,O4 ,,C,16,H,13,,,O,4,,,,,,,,,,,,,,,,,
     980, 265.071757,  0.6610, 1607567.13,  264.7758,  265,   0,  -1, 224, 402, 7.0,,O6 ,,C,13,H,13,,,O,6,,,,,,,,,,,,,,,,,
     981, 629.204728,  0.6590,  689495.18,  628.5023,  629,   0,  -1, 498, 403, 6.0,,N2 O18 ,,C,23,H,37,N,2,O,18,,,,,,,,,,,,,,,,,
     982, 495.134609,  0.6542, 1137910.23,  494.5818,  495,   0,  -9, 418, 404, 0.0,,,No Hit
     983, 567.177787,  0.3436,  640323.33,  566.5446,  567,   0,  -7, 455, 405, 2.0,,O19 ,,C,19,H,35,,,O,19,,,,,,,,,,,,,,,,,
     984, 581.193441,  0.6540,  636866.88,  580.5446,  581,   0,  -7, 455, 405, 2.0,,O19 ,,C,20,H,37,,,O,19,,,,,,,,,,,,,,,,,
     985, 705.193026,  0.6527,  560183.54,  704.4057,  705,   0, -10,-406, 406,32.0,,O2 S2 ,,C,48,H,33,,,O,2,S,2,,,,,,,,,,,,,,,
     986, 339.087390,  0.6523, 1227804.95,  338.7088,  339,   0, -11, 291, 407,12.0,,O6 ,,C,19,H,15,,,O,6,,,,,,,,,,,,,,,,,
     987, 313.069566,  0.6495, 1372678.08,  312.7200,  313,   0,  -9, 280, 408, 0.0,,,No Hit
     988, 687.198988,  0.6459,  597552.50,  686.4318,  687,   0, -14,-432, 409, 7.0,,O21 ,*, C,26,H,39,,,O,21,,,,,,,,,,,,,,,,,
     989, 729.245947,  0.1765,  604413.99,  728.4318,  729,   0, -14,-432, 409, 7.0,,O21 ,*, C,29,H,45,,,O,21,,,,,,,,,,,,,,,,,
     990, 425.108917,  0.6442,  975495.69,  424.6343,  425,   0,  -9, 366, 410, 9.0,,O11 ,,C,19,H,21,,,O,11,,,,,,,,,,,,,,,,,
     991, 619.207109,  0.6441,  746903.98,  618.5158,  619,   0, -11, 484, 411, 0.0,,,No Hit
     992, 871.272711,  0.6431,  505110.34,  870.3000,  871,   0, -12,-300, 412,10.0,,O25 ,*, C,35,H,51,,,O,25,,,,,,,,,,,,,,,,,
     993, 257.239669,  0.2546, 1534966.61,  256.9525,  257,   0,  -9,  48, 413, 1.0,,O2 13C2 ,#, C,14,H,31,,,O,2,,,,,13C,2, ,,,,,,,,,,
     994, 285.270970,  0.6394, 1416191.78,  284.9525,  285,   0,  -9,  48, 413, 1.0,,O2 13C2 ,#, C,16,H,35,,,O,2,,,,,13C,2, ,,,,,,,,,,
     995,1070.147125,  0.2398,  393622.48, 1068.9524, 1069,   0,  -9,  48, 413, 1.0,,O2 13C2 ,#, C,72,H,147,,,O,2,,,,,13C,2, ,,,,,,,,,,
     996, 563.122905,  0.6361,  723293.92,  562.4942,  563,   0, -12,-494, 414,13.0,,O12 S1 ,,C,26,H,27,,,O,12,S,1,,,,,,,,,,,,,,,
     997, 353.066650,  0.6322, 1169128.75,  352.6725,  353,   0, -11, 328, 415,13.0,,O7 ,,C,19,H,13,,,O,7,,,,,,,,,,,,,,,,,
     998, 183.029919,  0.1342, 2312973.57,  182.8256,  183,   0, -13, 174, 416, 5.0,,O5 ,,C,8,H,7,,,O,5,,,,,,,,,,,,,,,,,
     999, 197.045562,  0.4588, 2069652.82,  196.8256,  197,   0, -13, 174, 416, 5.0,,O5 ,,C,9,H,9,,,O,5,,,,,,,,,,,,,,,,,
    1000, 211.061210,  0.3522, 1935611.37,  210.8256,  211,   0, -13, 174, 416, 5.0,,O5 ,,C,10,H,11,,,O,5,,,,,,,,,,,,,,,,,
    1001, 225.076856,  0.6307, 1779810.73,  224.8256,  225,   0, -13, 174, 416, 5.0,,O5 ,,C,11,H,13,,,O,5,,,,,,,,,,,,,,,,,
    1002, 248.581707,  0.6256, 1586774.91,  248.3042,  249,   0,  -4,-304, 417, 0.0,,,No Hit
    1003, 443.119472,  0.6231,  916971.83,  442.6248,  443,   0,  -5, 375, 418, 8.0,,O12 ,,C,19,H,23,,,O,12,,,,,,,,,,,,,,,,,
    1004, 467.096160,  0.6204,  875401.37,  466.5747,  467,   0,  -9, 425, 419, 0.0,,,No Hit
    1005,1083.784980,  0.2685,  212667.21, 1082.5750, 1083,   0,  -9, 425, 419, 0.0,,,No Hit
    1006, 337.071745,  0.6176, 1239794.32,  336.6954,  337,   0, -13, 305, 420,13.0,,O6 ,,C,19,H,13,,,O,6,,,,,,,,,,,,,,,,,
    1007, 591.156694,  0.6176,  670665.87,  590.4967,  591,   0, -12,-497, 421, 9.0,,O17 ,,C,24,H,31,,,O,17,,,,,,,,,,,,,,,,,
    1008, 619.188042,  0.1588,  773962.97,  618.4967,  619,   0, -12,-497, 421, 9.0,,O17 ,,C,26,H,35,,,O,17,,,,,,,,,,,,,,,,,
    1009, 647.219366,  0.1819,  699404.22,  646.4968,  647,   0, -12,-497, 421, 9.0,,O17 ,,C,28,H,39,,,O,17,,,,,,,,,,,,,,,,,
    1010, 489.124969,  0.3126,  808597.70,  488.5789,  489,   0,  -1, 421, 422, 8.0,,O14 ,,C,20,H,25,,,O,14,,,,,,,,,,,,,,,,,
    1011, 503.140606,  0.3760,  814619.96,  502.5789,  503,   0,  -1, 421, 422, 8.0,,O14 ,,C,21,H,27,,,O,14,,,,,,,,,,,,,,,,,
    1012, 517.156253,  0.4902,  789559.99,  516.5789,  517,   0,  -1, 421, 422, 8.0,,O14 ,,C,22,H,29,,,O,14,,,,,,,,,,,,,,,,,
    1013, 531.171915,  0.6169,  765653.98,  530.5789,  531,   0,  -1, 421, 422, 8.0,,O14 ,,C,23,H,31,,,O,14,,,,,,,,,,,,,,,,,
    1014, 725.228963,  0.6141,  534393.20,  724.4193,  725,   0,  -4,-419, 423,31.0,,N2 O7 ,*, C,46,H,33,N,2,O,7,,,,,,,,,,,,,,,,,
    1015, 279.097133,  0.6107, 1498610.34,  278.7855,  279,   0,  -1, 214, 424, 0.0,,,No Hit
    1016, 953.296823,  0.6106,  563698.65,  952.2325,  953,   0, -14,-233, 425,39.0,,O11 ,*, C,61,H,45,,,O,11,,,,,,,,,,,,,,,,,
    1017, 399.129640,  0.6065, 1029823.53,  398.6840,  399,   0,  -7, 316, 426, 7.0,,O10 ,,C,18,H,23,,,O,10,,,,,,,,,,,,,,,,,
    1018, 178.977330,  0.6059, 2255350.80,  178.7775,  179,   0,  -3, 222, 427, 0.0,,,No Hit
    1019, 917.278116,  0.6029,  501112.24,  916.2540,  917,   0,  -8,-254, 428,10.0,,O27 ,*, C,36,H,53,,,O,27,,,,,,,,,,,,,,,,,
    1020, 491.119492,  0.5988,  852203.50,  490.5712,  491,   0, -13, 429, 429,12.0,,O12 ,*, C,23,H,23,,,O,12,,,,,,,,,,,,,,,,,
    1021, 519.150798,  0.2429,  713256.57,  518.5712,  519,   0, -13, 429, 429,12.0,,O12 ,*, C,25,H,27,,,O,12,,,,,,,,,,,,,,,,,
    1022, 711.213593,  0.5945,  557982.40,  710.4196,  711,   0,  -4,-420, 430,31.0,,N2 O7 ,*, C,45,H,31,N,2,O,7,,,,,,,,,,,,,,,,,
    1023, 361.123720,  0.5940, 1121647.09,  360.7205,  361,   0,  -3, 279, 431, 0.0,,,No Hit
    1024, 295.104013,  0.5933,  140931.62,  294.7745,  295,   0, -13, 225, 432, 0.0,,,No Hit
    1025, 837.251921,  0.5790,  515028.03,  836.3172,  837,   0,  -4,-317, 433, 7.0,,O26 ,*, C,31,H,49,,,O,26,,,,,,,,,,,,,,,,,
    1026, 851.267595,  0.5914,  527141.44,  850.3172,  851,   0,  -4,-317, 433, 7.0,,O26 ,*, C,32,H,51,,,O,26,,,,,,,,,,,,,,,,,
    1027, 407.098354,  0.5896, 1024806.77,  406.6438,  407,   0, -13, 356, 434,10.0,,O10 ,,C,19,H,19,,,O,10,,,,,,,,,,,,,,,,,
    1028, 807.241331,  0.5877,  569162.99,  806.3401,  807,   0,  -6,-340, 435, 7.0,,O25 ,*, C,30,H,47,,,O,25,,,,,,,,,,,,,,,,,
    1029, 621.213388,  0.5838,  635541.00,  620.5198,  621,   0,  -9, 480, 436,11.0,,N2 O6 S3 ,,C,30,H,41,N,2,O,6,S,3,,,,,,,,,,,,,,,
    1030, 719.323063,  0.1704,  157077.62,  718.5200,  719,   0,  -9, 480, 436,11.0,,N2 O6 S3 ,,C,37,H,55,N,2,O,6,S,3,,,,,,,,,,,,,,,
    1031, 915.281441,  0.1583,  584882.11,  914.2596,  915,   0, -10,-260, 437,37.0,,O11 ,*, C,58,H,43,,,O,11,,,,,,,,,,,,,,,,,
    1032, 943.312523,  0.5825,  568223.31,  942.2594,  943,   0, -10,-259, 437,37.0,,O11 ,*, C,60,H,47,,,O,11,,,,,,,,,,,,,,,,,
    1033, 385.123728,  0.5820, 1024989.11,  384.6938,  385,   0,  -7, 306, 438, 0.0,,,No Hit
    1034, 451.103436,  0.5811,  938006.88,  450.5998,  451,   0, -11, 400, 439,15.0,,O9 ,,C,24,H,19,,,O,9,,,,,,,,,,,,,,,,,
    1035, 505.135124,  0.5797,  790401.20,  504.5712,  505,   0, -13, 429, 440,12.0,,O12 ,*, C,24,H,25,,,O,12,,,,,,,,,,,,,,,,,
    1036, 405.107921,  0.5743, 1010450.10,  404.6556,  405,   0,  -1, 344, 441, 2.0,,N1 O14 13C1 ,#, C,11,H,22,N,1,O,14,,,,,13C,1, ,,,,,,,,,,
    1037, 469.114004,  0.5708,  858245.72,  468.5903,  469,   0,  -7, 410, 442,14.0,,O10 ,*, C,24,H,21,,,O,10,,,,,,,,,,,,,,,,,
    1038, 551.173919,  0.5388,  692506.35,  550.5586,  551,   0,  -9, 441, 443, 3.0,,O18 13C2 ,#, C,17,H,33,,,O,18,,,,,13C,2, ,,,,,,,,,,
    1039, 565.189607,  0.5705,  715486.05,  564.5586,  565,   0,  -9, 441, 443, 3.0,,O18 13C2 ,#, C,18,H,35,,,O,18,,,,,13C,2, ,,,,,,,,,,
    1040, 487.157891,  0.5673,  828277.71,  486.6140,  487,   0,  -3, 386, 444, 4.0,,O15 13C2 ,#, C,16,H,29,,,O,15,,,,,13C,2, ,,,,,,,,,,
    1041, 971.307303,  0.5666,  559675.58,  970.2229,  971,   0, -10,-223, 445,38.0,,O12 ,*, C,61,H,47,,,O,12,,,,,,,,,,,,,,,,,
    1042, 287.076368,  0.5648, 1289594.43,  286.7559,  287,   0,  -7, 244, 446, 0.0,,,No Hit
    1043, 447.047099,  0.5643,  908602.48,  446.5480,  447,   0,  -1, 452, 447,18.0,,N2 O9 ,,C,22,H,11,N,2,O,9,,,,,,,,,,,,,,,,,
    1044, 175.040090,  0.2427, 2182291.76,  174.8447,  175,   0,  -7, 155, 448, 7.0,,O3 ,,C,10,H,7,,,O,3,,,,,,,,,,,,,,,,,
    1045, 189.055738,  0.5631, 2168015.24,  188.8447,  189,   0,  -7, 155, 448, 7.0,,O3 ,,C,11,H,9,,,O,3,,,,,,,,,,,,,,,,,
    1046, 217.087023,  0.1251, 1708530.31,  216.8447,  217,   0,  -7, 155, 448, 7.0,,O3 ,,C,13,H,13,,,O,3,,,,,,,,,,,,,,,,,
    1047, 299.092494,  0.5616, 1417201.19,  298.7586,  299,   0,  -9, 241, 449,10.0,,O5 ,,C,17,H,15,,,O,5,,,,,,,,,,,,,,,,,
    1048, 409.311183,  0.5616, 1021486.98,  408.8542,  409,   0, -11, 146, 450, 8.0,,O2 ,,C,28,H,41,,,O,2,,,,,,,,,,,,,,,,,
    1049, 545.324195,  0.4797,  722125.60,  544.7154,  545,   0,  -1, 285, 451, 5.0,,O10 13C2 ,#, C,26,H,47,,,O,10,,,,,13C,2, ,,,,,,,,,,
    1050, 573.355520,  0.5608,  670699.75,  572.7154,  573,   0,  -1, 285, 451, 5.0,,O10 13C2 ,#, C,28,H,51,,,O,10,,,,,13C,2, ,,,,,,,,,,
    1051, 381.119077,  0.5607, 1069932.43,  380.6936,  381,   0, -11, 306, 452, 8.0,,O9 ,,C,18,H,21,,,O,9,,,,,,,,,,,,,,,,,
    1052, 417.140214,  0.5588, 1014529.02,  416.6745,  417,   0,  -3, 326, 453, 6.0,,O11 ,,C,18,H,25,,,O,11,,,,,,,,,,,,,,,,,
    1053, 541.156269,  0.5585,  730460.49,  540.5521,  541,   0,  -5, 448, 454,10.0,,O14 ,*, C,24,H,29,,,O,14,,,,,,,,,,,,,,,,,
    1054, 623.204059,  0.5574,  684278.24,  622.5083,  623,   0,  -7, 492, 455, 3.0,,O20 ,,C,22,H,39,,,O,20,,,,,,,,,,,,,,,,,
    1055, 453.161336,  0.5572,  909241.46,  452.6554,  453,   0,  -9, 345, 456, 4.0,,O13 ,,C,18,H,29,,,O,13,,,,,,,,,,,,,,,,,
    1056, 329.103051,  0.5492, 1264026.89,  328.7356,  329,   0,  -7, 264, 457,10.0,,O6 ,,C,18,H,17,,,O,6,,,,,,,,,,,,,,,,,
    1057, 523.176550,  0.5485,  739304.83,  522.5924,  523,   0,  -9, 408, 458, 9.0,,N2 O4 S3 ,,C,25,H,35,N,2,O,4,S,3,,,,,,,,,,,,,,,
    1058,1083.802659,  0.1805,  140116.65, 1082.5926, 1083,   0,  -9, 407, 458, 9.0,,N2 O4 S3 ,,C,65,H,115,N,2,O,4,S,3,,,,,,,,,,,,,,,
    1059, 589.140977,  0.2186,  652531.48,  588.4832,  589,   0, -14,-483, 459,10.0,,O17 ,*, C,24,H,29,,,O,17,,,,,,,,,,,,,,,,,
    1060, 603.156700,  0.5479,  707855.73,  602.4833,  603,   0, -14,-483, 459,10.0,,O17 ,*, C,25,H,31,,,O,17,,,,,,,,,,,,,,,,,
    1061, 631.187955,  0.2129,  591661.19,  630.4833,  631,   0, -14,-483, 459,10.0,,O17 ,*, C,27,H,35,,,O,17,,,,,,,,,,,,,,,,,
    1062, 645.203659,  0.3136,  630183.33,  644.4833,  645,   0, -14,-483, 459,10.0,,O17 ,*, C,28,H,37,,,O,17,,,,,,,,,,,,,,,,,
    1063, 981.294378,  0.5474,  459728.37,  980.1988,  981,   0, -14,-199, 460, 9.0,,O30 ,*, C,37,H,57,,,O,30,,,,,,,,,,,,,,,,,
    1064, 885.256566,  0.5461,  482805.87,  884.2682,  885,   0, -12,-268, 461,32.0,,O8 S2 ,,C,54,H,45,,,O,8,S,2,,,,,,,,,,,,,,,
    1065, 577.177431,  0.5448,  699564.56,  576.5330,  577,   0, -11, 467, 462, 8.0,,O16 ,,C,24,H,33,,,O,16,,,,,,,,,,,,,,,,,
    1066, 467.151854,  0.5442,  937762.77,  466.6303,  467,   0,  -9, 370, 463, 5.0,,N2 O13 ,,C,17,H,27,N,2,O,13,,,,,,,,,,,,,,,,,
    1067, 473.108912,  0.5258,  881008.50,  472.5807,  473,   0,  -3, 419, 464,13.0,,O11 ,,C,23,H,21,,,O,11,,,,,,,,,,,,,,,,,
    1068, 487.124576,  0.5431,  839254.36,  486.5807,  487,   0,  -3, 419, 464,13.0,,O11 ,,C,24,H,23,,,O,11,,,,,,,,,,,,,,,,,
    1069, 543.156650,  0.4812,  719494.90,  542.5502,  543,   0,  -3, 450, 465, 5.0,,O17 ,,C,20,H,31,,,O,17,,,,,,,,,,,,,,,,,
    1070, 557.172306,  0.4508,  747972.41,  556.5503,  557,   0,  -3, 450, 465, 5.0,,O17 ,,C,21,H,33,,,O,17,,,,,,,,,,,,,,,,,
    1071, 571.188013,  0.2530,  715793.15,  570.5503,  571,   0,  -3, 450, 465, 5.0,,O17 ,,C,22,H,35,,,O,17,,,,,,,,,,,,,,,,,
    1072, 585.203616,  0.5415,  668578.38,  584.5503,  585,   0,  -3, 450, 465, 5.0,,O17 ,,C,23,H,37,,,O,17,,,,,,,,,,,,,,,,,
    1073, 713.224420,  0.4983,  531306.37,  712.4281,  713,   0,  -2,-428, 466,11.0,,N2 O10 S3 ,,C,32,H,45,N,2,O,10,S,3,,,,,,,,,,,,,,,
    1074, 727.240114,  0.5413,  542400.92,  726.4282,  727,   0,  -2,-428, 466,11.0,,N2 O10 S3 ,,C,33,H,47,N,2,O,10,S,3,,,,,,,,,,,,,,,
    1075, 737.235849,  0.5406,  590969.99,  736.4128,  737,   0,  -6,-413, 467, 5.0,,O23 ,*, C,27,H,45,,,O,23,,,,,,,,,,,,,,,,,
    1076, 995.310036,  0.5386,  457490.78,  994.1988,  995,   0, -14,-199, 468, 9.0,,O30 ,*, C,38,H,59,,,O,30,,,,,,,,,,,,,,,,,
    1077, 335.113606,  0.5385, 1192434.76,  334.7395,  335,   0,  -1, 261, 469, 8.0,,O7 ,,C,17,H,19,,,O,7,,,,,,,,,,,,,,,,,
    1078, 424.981743,  0.5370,  974202.20,  424.5073,  425,   0,  -9, 493, 470, 0.0,,,No Hit
    1079, 685.229486,  0.5351,  615443.50,  684.4645,  685,   0,  -2,-464, 471,10.0,,N2 O9 S3 ,,C,31,H,45,N,2,O,9,S,3,,,,,,,,,,,,,,,
    1080, 441.152390,  0.5342,  893644.65,  440.6599,  441,   0,  -7, 340, 472, 4.0,,O13 13C2 ,#, C,15,H,27,,,O,13,,,,,13C,2, ,,,,,,,,,,
    1081, 377.066645,  0.3813, 1060690.62,  376.6457,  377,   0,  -1, 354, 473,15.0,,O7 ,,C,21,H,13,,,O,7,,,,,,,,,,,,,,,,,
    1082, 391.082297,  0.4720, 1056408.20,  390.6457,  391,   0,  -1, 354, 473,15.0,,O7 ,,C,22,H,15,,,O,7,,,,,,,,,,,,,,,,,
    1083, 405.097959,  0.5337, 1072416.88,  404.6457,  405,   0,  -1, 354, 473,15.0,,O7 ,,C,23,H,17,,,O,7,,,,,,,,,,,,,,,,,
    1084, 571.344628,  0.5325,  725146.31,  570.7067,  571,   0,  -3, 293, 474, 1.0,,N2 O12 ,,C,25,H,51,N,2,O,12,,,,,,,,,,,,,,,,,
    1085, 389.121099,  0.5316, 1072890.84,  388.6867,  389,   0,  -3, 313, 475, 2.0,,O13 13C2 ,#, C,11,H,23,,,O,13,,,,,13C,2, ,,,,,,,,,,
    1086, 599.355921,  0.3125,  673658.16,  598.6868,  599,   0,  -3, 313, 475, 2.0,,O13 13C2 ,#, C,26,H,53,,,O,13,,,,,13C,2, ,,,,,,,,,,
    1087, 627.387247,  0.3472,  690791.56,  626.6868,  627,   0,  -3, 313, 475, 2.0,,O13 13C2 ,#, C,28,H,57,,,O,13,,,,,13C,2, ,,,,,,,,,,
    1088, 665.211961,  0.5311,  655398.06,  664.4693,  665,   0,  -8,-469, 476,35.0,,O3 ,*, C,49,H,29,,,O,3,,,,,,,,,,,,,,,,,
    1089, 341.030099,  0.5311, 1306558.04,  340.6494,  341,   0,  -9, 351, 477, 0.0,,,No Hit
    1090, 813.235332,  0.5269,  531521.63,  812.3274,  813,   0, -14,-327, 478,31.0,,O6 S2 ,,C,51,H,41,,,O,6,S,2,,,,,,,,,,,,,,,
    1091, 795.726491,  0.5237,  535054.78,  794.8381,  795,   0,  -3, 162, 479, 0.0,,,No Hit
    1092, 321.040457,  0.5227, 1362561.86,  320.6820,  321,   0,  -1, 318, 480,14.0,,O6 ,,C,18,H,9,,,O,6,,,,,,,,,,,,,,,,,
    1093, 349.071738,  0.3827, 1198268.04,  348.6820,  349,   0,  -1, 318, 480,14.0,,O6 ,,C,20,H,13,,,O,6,,,,,,,,,,,,,,,,,
    1094, 363.087379,  0.3964, 1103319.95,  362.6820,  363,   0,  -1, 318, 480,14.0,,O6 ,,C,21,H,15,,,O,6,,,,,,,,,,,,,,,,,
    1095, 377.103046,  0.4793, 1112148.12,  376.6820,  377,   0,  -1, 318, 480,14.0,,O6 ,,C,22,H,17,,,O,6,,,,,,,,,,,,,,,,,
    1096, 271.082323,  0.5214, 1581136.94,  270.7797,  271,   0,  -9, 220, 481, 5.0,,O7 ,,C,12,H,15,,,O,7,,,,,,,,,,,,,,,,,
    1097, 663.198964,  0.5207,  622015.18,  662.4585,  663,   0, -10,-459, 482, 5.0,,O21 ,*, C,24,H,39,,,O,21,,,,,,,,,,,,,,,,,
    1098, 723.705331,  0.5200,  629542.50,  722.8973,  723,   0,  -5, 103, 483, 0.0,,,No Hit
    1099, 469.135130,  0.5199,  849212.72,  468.6114,  469,   0,  -7, 389, 484, 9.0,,O12 ,,C,21,H,25,,,O,12,,,,,,,,,,,,,,,,,
    1100, 309.076846,  0.5187, 1360366.15,  308.7318,  309,   0, -13, 268, 485,12.0,,O5 ,,C,18,H,13,,,O,5,,,,,,,,,,,,,,,,,
    1101, 479.140610,  0.5178,  842565.03,  478.6057,  479,   0, -11, 394, 486, 6.0,,O14 ,,C,19,H,27,,,O,14,,,,,,,,,,,,,,,,,
    1102, 565.175921,  0.5163,  887340.90,  564.5449,  565,   0,  -9, 455, 487,10.0,,O6 S3 ,,C,28,H,37,,,O,6,S,3,,,,,,,,,,,,,,,
    1103, 467.137943,  0.5155,  834673.34,  466.6164,  467,   0,  -9, 384, 488, 9.0,,O9 S1 ,,C,22,H,27,,,O,9,S,1,,,,,,,,,,,,,,,
    1104, 609.167245,  0.5141,  690937.65,  608.4871,  609,   0,  -8,-487, 489, 8.0,,O18 ,,C,24,H,33,,,O,18,,,,,,,,,,,,,,,,,
    1105, 351.050998,  0.5140, 1219475.32,  350.6591,  351,   0, -13, 341, 490,14.0,,O7 ,,C,19,H,11,,,O,7,,,,,,,,,,,,,,,,,
    1106, 571.347262,  0.5118,  816064.37,  570.7094,  571,   0,  -3, 291, 491, 8.0,,S3 ,,C,35,H,55,,,,,S,3,,,,,,,,,,,,,,,
    1107, 531.155489,  0.5110, 1014570.45,  530.5625,  531,   0,  -1, 438, 492, 0.0,,,No Hit
    1108, 769.421425,  0.1768,  829691.19,  768.5624,  769,   0,  -1, 438, 492, 0.0,,,No Hit
    1109, 509.150143,  0.5069,  243447.45,  508.5817,  509,   0,  -9, 418, 493, 0.0,,,No Hit
    1110, 379.089831,  0.5059, 1065471.84,  378.6666,  379,   0, -13, 333, 494, 0.0,,,No Hit
    1111, 605.151206,  0.1905,  615244.39,  604.4756,  605,   0, -12,-476, 495,14.0,,O15 ,*, C,28,H,29,,,O,15,,,,,,,,,,,,,,,,,
    1112, 619.166878,  0.5041,  631469.65,  618.4756,  619,   0, -12,-476, 495,14.0,,O15 ,*, C,29,H,31,,,O,15,,,,,,,,,,,,,,,,,
    1113, 201.040475,  0.1664, 2207357.87,  200.8160,  201,   0,  -9, 184, 496, 4.0,,O6 ,,C,8,H,9,,,O,6,,,,,,,,,,,,,,,,,
    1114, 215.056122,  0.5035, 1861356.16,  214.8160,  215,   0,  -9, 184, 496, 4.0,,O6 ,,C,9,H,11,,,O,6,,,,,,,,,,,,,,,,,
    1115, 243.087414,  0.4135, 1746527.84,  242.8160,  243,   0,  -9, 184, 496, 4.0,,O6 ,,C,11,H,15,,,O,6,,,,,,,,,,,,,,,,,
    1116, 179.056574,  0.5028, 1892134.44,  178.8567,  179,   0,  -3, 143, 497, 0.0,,,No Hit
    1117, 599.144084,  0.5015,  793121.97,  598.4752,  599,   0,  -4,-475, 498,38.0,,O1 ,*, C,47,H,19,,,O,1,,,,,,,,,,,,,,,,,
    1118, 755.209957,  0.2393,  594166.90,  754.3668,  755,   0,  -2,-367, 499, 5.0,,O25 ,*, C,26,H,43,,,O,25,,,,,,,,,,,,,,,,,
    1119, 783.241322,  0.2031,  565317.21,  782.3669,  783,   0,  -2,-367, 499, 5.0,,O25 ,*, C,28,H,47,,,O,25,,,,,,,,,,,,,,,,,
    1120, 797.256999,  0.4990,  545350.95,  796.3669,  797,   0,  -2,-367, 499, 5.0,,O25 ,*, C,29,H,49,,,O,25,,,,,,,,,,,,,,,,,
    1121, 617.172354,  0.4986,  627919.86,  616.4833,  617,   0, -14,-483, 500,10.0,,O17 ,*, C,26,H,33,,,O,17,,,,,,,,,,,,,,,,,
    1122, 543.140191,  0.4976,  778998.68,  542.5338,  543,   0,  -3, 466, 501, 0.0,,,No Hit
    1123, 441.072092,  0.4964,  932466.52,  440.5797,  441,   0,  -7, 420, 502, 0.0,,,No Hit
    1124, 545.171008,  0.4952,  206894.48,  544.5624,  545,   0,  -1, 438, 503, 0.0,,,No Hit
    1125, 633.673579,  0.4948,  604324.34,  632.9661,  633,   0, -11,  34, 504, 0.0,,,No Hit
    1126, 405.080524,  0.4938, 1042425.24,  404.6283,  405,   0,  -1, 372, 505, 0.0,,,No Hit
    1127, 647.198600,  0.4907,  613455.04,  646.4760,  647,   0, -12,-476, 506, 4.0,,N2 O12 S3 ,,C,24,H,43,N,2,O,12,S,3,,,,,,,,,,,,,,,
    1128, 451.134287,  0.4885,  906702.81,  450.6306,  451,   0, -11, 369, 507,13.0,,N2 S3 ,,C,25,H,27,N,2,,,S,3,,,,,,,,,,,,,,,
    1129, 335.086950,  0.4878, 1249261.53,  334.7128,  335,   0,  -1, 287, 508, 0.0,,,No Hit
    1130, 573.353043,  0.2321,  659424.65,  572.7129,  573,   0,  -1, 287, 508, 0.0,,,No Hit
    1131, 829.271886,  0.4872,  463612.70,  828.3460,  829,   0, -12,-346, 509,21.0,,O11 S2 ,*, C,45,H,49,,,O,11,S,2,,,,,,,,,,,,,,,
    1132, 573.146099,  0.4871,  668350.91,  572.5062,  573,   0,  -1, 494, 510,10.0,,O16 ,*, C,24,H,29,,,O,16,,,,,,,,,,,,,,,,,
    1133, 601.177419,  0.1983,  680682.23,  600.5062,  601,   0,  -1, 494, 510,10.0,,O16 ,*, C,26,H,33,,,O,16,,,,,,,,,,,,,,,,,
    1134, 253.050629,  0.4526, 1601109.43,  252.7681,  253,   0, -13, 232, 511,11.0,,O4 ,,C,15,H,9,,,O,4,,,,,,,,,,,,,,,,,
    1135, 267.066277,  0.4846, 1519769.11,  266.7681,  267,   0, -13, 232, 511,11.0,,O4 ,,C,16,H,11,,,O,4,,,,,,,,,,,,,,,,,
    1136, 219.066292,  0.4841, 1837239.28,  218.8217,  219,   0,  -5, 178, 512, 7.0,,O4 ,,C,12,H,11,,,O,4,,,,,,,,,,,,,,,,,
    1137, 565.173330,  0.4819,  742107.03,  564.5423,  565,   0,  -9, 458, 513, 3.0,,N2 O18 ,,C,18,H,33,N,2,O,18,,,,,,,,,,,,,,,,,
    1138, 651.182496,  0.4811,  567240.37,  650.4555,  651,   0,  -8,-455, 514,30.0,,O1 S2 ,,C,45,H,31,,,O,1,S,2,,,,,,,,,,,,,,,
    1139, 425.124173,  0.4793,  995008.77,  424.6495,  425,   0,  -9, 350, 515,13.0,,O8 ,,C,23,H,21,,,O,8,,,,,,,,,,,,,,,,,
    1140, 266.802100,  0.4785, 1599714.71,  266.5042,  267,   0, -13, 496, 516, 0.0,,,No Hit
    1141, 631.209166,  0.4766,  672792.70,  630.5045,  631,   0, -13, 496, 516, 0.0,,,No Hit
    1142, 829.274303,  0.4772,  476982.18,  828.3485,  829,   0, -12,-348, 517, 5.0,,O26 13C2 ,#, C,28,H,51,,,O,26,,,,,13C,2, ,,,,,,,,,,
    1143, 347.096979,  0.4740, 1105766.91,  346.7095,  347,   0,  -3, 291, 518, 0.0,,,No Hit
    1144, 559.166851,  0.4729,  728116.28,  558.5426,  559,   0,  -1, 457, 519, 9.0,,O15 ,,C,24,H,31,,,O,15,,,,,,,,,,,,,,,,,
    1145, 855.260539,  0.3767,  202828.80,  854.3057,  855,   0, -14,-306, 520,36.0,,O4 S2 ,*, C,57,H,43,,,O,4,S,2,,,,,,,,,,,,,,,
    1146, 869.276107,  0.4718,  595330.32,  868.3056,  869,   0, -14,-306, 520,36.0,,O4 S2 ,*, C,58,H,45,,,O,4,S,2,,,,,,,,,,,,,,,
    1147, 585.167240,  0.2305,  673381.27,  584.5139,  585,   0,  -3, 486, 521, 6.0,,O18 ,,C,22,H,33,,,O,18,,,,,,,,,,,,,,,,,
    1148, 599.182906,  0.4704,  667273.57,  598.5139,  599,   0,  -3, 486, 521, 6.0,,O18 ,,C,23,H,35,,,O,18,,,,,,,,,,,,,,,,,
    1149, 295.101801,  0.4699, 1146896.24,  294.7723,  295,   0, -13, 228, 522, 0.0,,,No Hit
    1150, 181.050656,  0.2975, 2155064.71,  180.8485,  181,   0,  -1, 151, 523, 5.0,,O4 ,,C,9,H,9,,,O,4,,,,,,,,,,,,,,,,,
    1151, 195.066301,  0.2362, 2042503.08,  194.8485,  195,   0,  -1, 151, 523, 5.0,,O4 ,,C,10,H,11,,,O,4,,,,,,,,,,,,,,,,,
    1152, 209.081951,  0.1292, 2018760.56,  208.8485,  209,   0,  -1, 151, 523, 5.0,,O4 ,,C,11,H,13,,,O,4,,,,,,,,,,,,,,,,,
    1153, 293.175833,  0.4693, 1417594.86,  292.8485,  293,   0,  -1, 151, 523, 5.0,,O4 ,,C,17,H,25,,,O,4,,,,,,,,,,,,,,,,,
    1154, 789.230790,  0.4680,  576210.25,  788.3497,  789,   0, -10,-350, 524, 8.0,,O24 ,*, C,30,H,45,,,O,24,,,,,,,,,,,,,,,,,
    1155, 309.119094,  0.4672, 1356006.30,  308.7740,  309,   0, -13, 226, 525, 2.0,,O9 ,,C,12,H,21,,,O,9,,,,,,,,,,,,,,,,,
    1156, 907.293785,  0.4665,  521861.66,  906.2808,  907,   0,  -4,-281, 526, 8.0,,O27 ,*, C,35,H,55,,,O,27,,,,,,,,,,,,,,,,,
    1157, 801.230792,  0.4650,  566854.34,  800.3363,  801,   0, -12,-336, 527, 9.0,,O24 ,*, C,31,H,45,,,O,24,,,,,,,,,,,,,,,,,
    1158, 233.083814,  0.4649, 1764464.12,  232.8236,  233,   0,  -5, 176, 528, 0.0,,,No Hit
    1159, 303.232948,  0.4636, 1368419.17,  302.8944,  303,   0,  -5, 106, 529, 5.0,,O2 ,,C,20,H,31,,,O,2,,,,,,,,,,,,,,,,,
    1160, 601.156277,  0.4607,  698405.96,  600.4851,  601,   0,  -2,-485, 530,15.0,,O14 ,*, C,29,H,29,,,O,14,,,,,,,,,,,,,,,,,
    1161,1017.315382,  0.4084,  438571.57, 1016.1796, 1017,   0,  -6,-180, 531, 7.0,,O32 ,*, C,37,H,61,,,O,32,,,,,,,,,,,,,,,,,
    1162,1031.331229,  0.4603,  445229.82, 1030.1798, 1031,   0,  -6,-180, 531, 7.0,,O32 ,*, C,38,H,63,,,O,32,,,,,,,,,,,,,,,,,
    1163, 403.136748,  0.4603, 1012123.10,  402.6867,  403,   0,  -3, 313, 532, 2.0,,O13 13C2 ,#, C,12,H,25,,,O,13,,,,,13C,2, ,,,,,,,,,,
    1164, 255.232321,  0.4596, 1386477.57,  254.9474,  255,   0, -11,  53, 533, 0.0,,,No Hit
    1165, 903.283723,  0.4559,  490783.36,  902.2753,  903,   0,  -8,-275, 534, 5.0,,O29 ,*, C,32,H,55,,,O,29,,,,,,,,,,,,,,,,,
    1166, 385.112268,  0.4547, 1000967.41,  384.6823,  385,   0,  -7, 318, 535,10.0,,S3 ,,C,22,H,25,,,,,S,3,,,,,,,,,,,,,,,
    1167, 419.077227,  0.4547,  979071.34,  418.6093,  419,   0,  -1, 391, 536,16.0,,O8 ,,C,23,H,15,,,O,8,,,,,,,,,,,,,,,,,
    1168, 881.254855,  0.4534,  384758.23,  880.2710,  881,   0,  -2,-271, 537,43.0,,O7 ,*, C,61,H,37,,,O,7,,,,,,,,,,,,,,,,,
    1169, 899.267667,  0.4526,  524017.26,  898.2637,  899,   0, -12,-264, 538,11.0,,O26 ,*, C,36,H,51,,,O,26,,,,,,,,,,,,,,,,,
    1170, 241.072205,  0.4485, 1534312.39,  240.8031,  241,   0, -11, 197, 539, 0.0,,,No Hit
    1171, 701.193494,  0.4483,  146015.71,  700.4106,  701,   0, -14,-411, 540,12.0,,O19 ,*, C,30,H,37,,,O,19,,,,,,,,,,,,,,,,,
    1172, 683.182937,  0.4477,  621858.92,  682.4202,  683,   0,  -4,-420, 541,13.0,,O18 ,*, C,30,H,35,,,O,18,,,,,,,,,,,,,,,,,
    1173, 843.262486,  0.4457,  523650.78,  842.3210,  843,   0, -12,-321, 542, 5.0,,O27 ,*, C,30,H,51,,,O,27,,,,,,,,,,,,,,,,,
    1174, 475.327656,  0.4456,  883048.71,  474.7970,  475,   0,  -1, 203, 543, 2.0,,O8 ,,C,25,H,47,,,O,8,,,,,,,,,,,,,,,,,
    1175, 713.226877,  0.3921,  609257.88,  712.4306,  713,   0,  -2,-431, 544, 4.0,,O23 13C2 ,#, C,23,H,43,,,O,23,,,,,13C,2, ,,,,,,,,,,
    1176, 727.242512,  0.4451,  602438.27,  726.4306,  727,   0,  -2,-431, 544, 4.0,,O23 13C2 ,#, C,24,H,45,,,O,23,,,,,13C,2, ,,,,,,,,,,
    1177, 621.167240,  0.3723,  669820.71,  620.4737,  621,   0, -10,-474, 545, 9.0,,O18 ,,C,25,H,33,,,O,18,,,,,,,,,,,,,,,,,
    1178, 635.182917,  0.4423,  633345.19,  634.4738,  635,   0, -10,-474, 545, 9.0,,O18 ,,C,26,H,35,,,O,18,,,,,,,,,,,,,,,,,
    1179, 663.214234,  0.3102,  628509.50,  662.4738,  663,   0, -10,-474, 545, 9.0,,O18 ,,C,28,H,39,,,O,18,,,,,,,,,,,,,,,,,
    1180, 215.034992,  0.4393, 1872954.21,  214.7949,  215,   0,  -9, 205, 546, 9.0,,O4 ,,C,12,H,7,,,O,4,,,,,,,,,,,,,,,,,
    1181, 243.066285,  0.4174, 1667581.29,  242.7949,  243,   0,  -9, 205, 546, 9.0,,O4 ,,C,14,H,11,,,O,4,,,,,,,,,,,,,,,,,
    1182, 257.081938,  0.4081, 1567984.20,  256.7949,  257,   0,  -9, 205, 546, 9.0,,O4 ,,C,15,H,13,,,O,4,,,,,,,,,,,,,,,,,
    1183, 271.097576,  0.2392, 1477903.64,  270.7949,  271,   0,  -9, 205, 546, 9.0,,O4 ,,C,16,H,15,,,O,4,,,,,,,,,,,,,,,,,
    1184, 815.246431,  0.4382,  539004.09,  814.3362,  815,   0, -12,-336, 547, 9.0,,O24 ,*, C,32,H,47,,,O,24,,,,,,,,,,,,,,,,,
    1185, 259.012922,  0.4377, 1557079.03,  258.7237,  259,   0,  -7, 276, 548, 1.0,,O9 S1 ,,C,6,H,11,,,O,9,S,1,,,,,,,,,,,,,,,
    1186, 621.215833,  0.4374,  652934.14,  620.5223,  621,   0,  -9, 478, 549, 4.0,,O19 13C2 ,#, C,21,H,39,,,O,19,,,,,13C,2, ,,,,,,,,,,
    1187, 615.161332,  0.4357,  678909.35,  614.4745,  615,   0,  -2,-475, 550, 0.0,,,No Hit
    1188, 799.270981,  0.4356,  226622.11,  798.3786,  799,   0, -14,-379, 551,34.0,,O2 S2 ,*, C,55,H,43,,,O,2,S,2,,,,,,,,,,,,,,,
    1189, 323.099737,  0.4352,  999284.60,  322.7390,  323,   0, -13, 261, 552, 0.0,,,No Hit
    1190, 347.113614,  0.4346, 1143382.05,  346.7261,  347,   0,  -3, 274, 553, 9.0,,O7 ,,C,18,H,19,,,O,7,,,,,,,,,,,,,,,,,
    1191, 357.102372,  0.4344, 1116877.53,  356.7037,  357,   0,  -7, 296, 554, 5.0,,O2 S3 ,,C,17,H,25,,,O,2,S,3,,,,,,,,,,,,,,,
    1192,1089.253726,  0.4334,  437938.06, 1088.0376, 1089,   0,  -4, -38, 555,15.0,,N2 O33 ,*, C,40,H,53,N,2,O,33,,,,,,,,,,,,,,,,,
    1193, 745.171490,  0.4301,  576558.02,  744.3395,  745,   0, -12,-340, 556,31.0,,O11 ,*, C,45,H,29,,,O,11,,,,,,,,,,,,,,,,,
    1194, 231.066289,  0.4299, 1688287.42,  230.8083,  231,   0,  -7, 192, 557, 8.0,,O4 ,,C,13,H,11,,,O,4,,,,,,,,,,,,,,,,,
    1195, 809.212544,  0.4282,  509390.64,  808.3091,  809,   0,  -4,-309, 558,47.0,,O3 ,*, C,61,H,29,,,O,3,,,,,,,,,,,,,,,,,
    1196, 323.054949,  0.4273, 1235750.66,  322.6943,  323,   0, -13, 306, 559, 0.0,,,No Hit
    1197, 539.137161,  0.4247,  887113.03,  538.5352,  539,   0,  -7, 465, 560, 0.0,,,No Hit
    1198, 861.273121,  0.4247,  515703.26,  860.3116,  861,   0,  -8,-312, 561, 4.0,,O28 ,*, C,30,H,53,,,O,28,,,,,,,,,,,,,,,,,
    1199, 543.313747,  0.4240,  708073.75,  542.7072,  543,   0,  -3, 293, 562, 0.0,,,No Hit
    1200, 379.082137,  0.4222,  366213.98,  378.6589,  379,   0, -13, 341, 563, 0.0,,,No Hit
    1201, 223.070938,  0.1329, 1829378.03,  222.8219,  223,   0,  -1, 178, 564, 6.0,,O2 S1 13C2 ,,C,10,H,13,,,O,2,S,1,,,13C,2, ,,,,,,,,,,
    1202, 419.290034,  0.4206,  975102.25,  418.8219,  419,   0,  -1, 178, 564, 6.0,,O2 S1 13C2 ,,C,24,H,41,,,O,2,S,1,,,13C,2, ,,,,,,,,,,
    1203, 447.321325,  0.3027,  874464.46,  446.8219,  447,   0,  -1, 178, 564, 6.0,,O2 S1 13C2 ,,C,26,H,45,,,O,2,S,1,,,13C,2, ,,,,,,,,,,
    1204, 515.286666,  0.4197,  702233.76,  514.7114,  515,   0,  -3, 289, 565, 0.0,,,No Hit
    1205,1097.341969,  0.4194,  398324.29, 1096.1168, 1097,   0, -10,-117, 566,63.0,,O2 ,*, C,85,H,45,,,O,2,,,,,,,,,,,,,,,,,
    1206, 595.187978,  0.4189,  701276.62,  594.5235,  595,   0,  -7, 477, 567, 7.0,,O17 ,,C,24,H,35,,,O,17,,,,,,,,,,,,,,,,,
    1207,1025.297240,  0.4179,  464054.32, 1024.1525, 1025,   0, -12,-153, 568,45.0,,O11 ,*, C,67,H,45,,,O,11,,,,,,,,,,,,,,,,,
    1208, 295.059003,  0.4169, 1405902.33,  294.7296,  295,   0, -13, 270, 569, 0.0,,,No Hit
    1209,1089.265448,  0.4137,  182367.26, 1088.0493, 1089,   0,  -4, -49, 570,62.0,,S2 ,*, C,82,H,41,,,,,S,2,,,,,,,,,,,,,,,
    1210, 552.647144,  0.4134,  724645.60,  552.0301,  553,   0,  -8, -30, 571, 0.0,,,No Hit
    1211, 607.188019,  0.4130,  717016.36,  606.5101,  607,   0,  -9, 490, 572, 8.0,,O17 ,,C,25,H,35,,,O,17,,,,,,,,,,,,,,,,,
    1212, 249.076848,  0.4128, 1615046.78,  248.7988,  249,   0,  -3, 201, 573, 7.0,,O5 ,,C,13,H,13,,,O,5,,,,,,,,,,,,,,,,,
    1213, 665.172348,  0.4082,  611199.72,  664.4297,  665,   0,  -8,-430, 574,14.0,,O17 ,*, C,30,H,33,,,O,17,,,,,,,,,,,,,,,,,
    1214, 439.073966,  0.4081,  909614.14,  438.5838,  439,   0,  -9, 416, 575, 5.0,,O10 S2 ,,C,16,H,23,,,O,10,S,2,,,,,,,,,,,,,,,
    1215, 523.167938,  0.2948,  689895.95,  522.5838,  523,   0,  -9, 416, 575, 5.0,,O10 S2 ,,C,22,H,35,,,O,10,S,2,,,,,,,,,,,,,,,
    1216,1083.793921,  0.2292,  332316.18, 1082.5839, 1083,   0,  -9, 416, 575, 5.0,,O10 S2 ,,C,62,H,115,,,O,10,S,2,,,,,,,,,,,,,,,
    1217,1035.323178,  0.4062,  490345.67, 1034.1673, 1035,   0,  -2,-167, 576,37.0,,O15 ,*, C,62,H,51,,,O,15,,,,,,,,,,,,,,,,,
    1218, 724.962725,  0.4049,  604179.07,  724.1533,  725,   0,  -4,-153, 577,29.0,,N2 O17 S1 ,*, C,32,H,9,N,2,O,17,S,1,,,,,,,,,,,,,,,
    1219,1070.125217,  0.4032,  346213.17, 1068.9305, 1069,   0,  -9,  70, 578,67.0,,N1 O2 S2 ,*, C,78,H,24,N,1,O,2,S,2,,,,,,,,,,,,,,,
    1220, 371.119474,  0.4024, 1091766.66,  370.7051,  371,   0,  -7, 295, 579, 2.0,,O12 ,,C,13,H,23,,,O,12,,,,,,,,,,,,,,,,,
    1221, 709.150351,  0.4014,  609407.26,  708.3586,  709,   0,  -6,-359, 580,33.0,,O9 ,*, C,45,H,25,,,O,9,,,,,,,,,,,,,,,,,
    1222, 545.168561,  0.4013,  763582.30,  544.5599,  545,   0,  -1, 440, 581, 0.0,,N2 O19 ,,C,15,H,33,N,2,O,19,,,,,,,,,,,,,,,,,
    1223, 453.119094,  0.4010,  868626.97,  452.6132,  453,   0,  -9, 387, 582,14.0,,O9 ,,C,24,H,21,,,O,9,,,,,,,,,,,,,,,,,
    1224, 677.214583,  0.4000,  609595.06,  676.4585,  677,   0, -10,-459, 583, 5.0,,O21 ,,C,25,H,41,,,O,21,,,,,,,,,,,,,,,,,
    1225, 487.166834,  0.3984,  834523.01,  486.6229,  487,   0,  -3, 377, 584, 3.0,,O15 ,,C,18,H,31,,,O,15,,,,,,,,,,,,,,,,,
    1226, 765.230655,  0.1606,  514171.36,  764.3763,  765,   0,  -6,-376, 585, 6.0,,O24 ,*, C,28,H,45,,,O,24,,,,,,,,,,,,,,,,,
    1227, 779.246396,  0.3982,  578671.25,  778.3764,  779,   0,  -6,-376, 585, 6.0,,O24 ,*, C,29,H,47,,,O,24,,,,,,,,,,,,,,,,,
    1228, 807.277690,  0.1530,  522475.51,  806.3764,  807,   0,  -6,-376, 585, 6.0,,O24 ,*, C,31,H,51,,,O,24,,,,,,,,,,,,,,,,,
    1229, 416.524822,  0.3967,  620943.43,  416.0598,  417,   0,  -4, -60, 586, 0.0,,,No Hit
    1230, 297.074658,  0.3958, 1418452.76,  296.7430,  297,   0, -11, 257, 587, 0.0,,,No Hit
    1231, 444.992642,  0.3951,  924505.82,  444.4958,  445,   0,  -4,-496, 588,24.0,,N2 O5 S1 ,,C,25,H,5,N,2,O,5,S,1,,,,,,,,,,,,,,,
    1232,1025.341787,  0.3935,  429434.16, 1024.1970, 1025,   0, -12,-197, 589, 4.0,,O33 ,*, C,36,H,65,,,O,33,,,,,,,,,,,,,,,,,
    1233, 341.110481,  0.3932,  885105.70,  340.7296,  341,   0,  -9, 270, 590, 0.0,,,No Hit
    1234, 433.092872,  0.3928,  963499.23,  432.6093,  433,   0,  -1, 391, 591,16.0,,O8 ,,C,24,H,17,,,O,8,,,,,,,,,,,,,,,,,
    1235, 277.093890,  0.3927, 1435539.27,  276.7845,  277,   0,  -3, 215, 592, 2.0,,O3 S2 ,,C,12,H,21,,,O,3,S,2,,,,,,,,,,,,,,,
    1236, 865.241381,  0.3921,  502596.75,  864.2754,  865,   0,  -4,-275, 593,43.0,,O4 S1 ,*, C,61,H,37,,,O,4,S,1,,,,,,,,,,,,,,,
    1237, 469.144867,  0.3921,  913979.07,  468.6211,  469,   0,  -7, 379, 594,12.0,,N2 O1 S3 ,,C,25,H,29,N,2,O,1,S,3,,,,,,,,,,,,,,,
    1238, 305.086785,  0.3909, 1276943.23,  304.7462,  305,   0,  -3, 254, 595, 0.0,,,No Hit
    1239, 685.231854,  0.3894,  533715.45,  684.4668,  685,   0,  -2,-467, 596, 3.0,,O22 13C2 ,#, C,22,H,43,,,O,22,,,,,13C,2, ,,,,,,,,,,
    1240, 431.117241,  0.3888,  960933.62,  430.6359,  431,   0,  -3, 364, 597, 0.0,,,No Hit
    1241, 863.242290,  0.3873,  188684.53,  862.2785,  863,   0,  -6,-279, 598, 9.0,,N2 O26 ,,C,31,H,47,N,2,O,26,,,,,,,,,,,,,,,,,
    1242, 649.208321,  0.3849,  640444.18,  648.4835,  649,   0, -10,-484, 599,12.0,,N2 O7 S3 ,,C,31,H,41,N,2,O,7,S,3,,,,,,,,,,,,,,,
    1243, 753.082971,  0.1605,  272895.13,  752.2422,  753,   0,  -4,-242, 600,40.0,,O10 ,*, C,48,H,17,,,O,10,,,,,,,,,,,,,,,,,
    1244, 935.286355,  0.3837,  132422.61,  934.2422,  935,   0,  -4,-242, 600,40.0,,O10 ,*, C,61,H,43,,,O,10,,,,,,,,,,,,,,,,,
    1245, 957.277798,  0.3833,  460701.98,  956.2090,  957,   0, -10,-209, 601,21.0,,N2 O22 ,,C,44,H,49,N,2,O,22,,,,,,,,,,,,,,,,,
    1246, 505.098610,  0.2850,  811164.45,  504.5347,  505,   0, -13, 465, 602,13.0,,O13 ,,C,23,H,21,,,O,13,,,,,,,,,,,,,,,,,
    1247, 519.114390,  0.3831,  727224.65,  518.5348,  519,   0, -13, 465, 602,13.0,,O13 ,,C,24,H,23,,,O,13,,,,,,,,,,,,,,,,,
    1248, 547.145727,  0.2322,  773789.38,  546.5349,  547,   0, -13, 465, 602,13.0,,O13 ,,C,26,H,27,,,O,13,,,,,,,,,,,,,,,,,
    1249, 561.161372,  0.1910,  609280.57,  560.5349,  561,   0, -13, 465, 602,13.0,,O13 ,,C,27,H,29,,,O,13,,,,,,,,,,,,,,,,,
    1250, 575.177030,  0.2230,  661053.46,  574.5349,  575,   0, -13, 465, 602,13.0,,O13 ,,C,28,H,31,,,O,13,,,,,,,,,,,,,,,,,
    1251, 465.082692,  0.3810,  885300.30,  464.5634,  465,   0, -11, 437, 603,16.0,,O10 ,,C,24,H,17,,,O,10,,,,,,,,,,,,,,,,,
    1252, 521.145315,  0.2749,  739738.48,  520.5635,  521,   0, -11, 437, 603,16.0,,O10 ,,C,28,H,25,,,O,10,,,,,,,,,,,,,,,,,
    1253, 301.111519,  0.3802, 1401484.44,  300.7753,  301,   0,  -7, 225, 604, 4.0,,O5 S1 ,,C,14,H,21,,,O,5,S,1,,,,,,,,,,,,,,,
    1254, 491.232017,  0.2732,  771685.16,  490.6836,  491,   0, -13, 316, 605, 4.0,,O9 S1 ,,C,23,H,39,,,O,9,S,1,,,,,,,,,,,,,,,
    1255, 505.247662,  0.3796,  782141.13,  504.6836,  505,   0, -13, 316, 605, 4.0,,O9 S1 ,,C,24,H,41,,,O,9,S,1,,,,,,,,,,,,,,,
    1256, 567.160743,  0.3794,  680819.19,  566.5275,  567,   0,  -7, 472, 606, 3.0,,N1 O19 13C1 ,#, C,17,H,32,N,1,O,19,,,,,13C,1, ,,,,,,,,,,
    1257, 177.055742,  0.3779, 2220761.06,  176.8581,  177,   0,  -5, 142, 607, 6.0,,O3 ,,C,10,H,9,,,O,3,,,,,,,,,,,,,,,,,
    1258, 429.122742,  0.3775,  938380.52,  428.6436,  429,   0,  -5, 356, 608, 0.0,,,No Hit
    1259, 567.181665,  0.3758,  716047.67,  566.5484,  567,   0,  -7, 452, 609,14.0,,N2 O3 S3 ,,C,30,H,35,N,2,O,3,S,3,,,,,,,,,,,,,,,
    1260, 237.076852,  0.3757, 1743541.27,  236.8122,  237,   0,  -1, 188, 610, 6.0,,O5 ,,C,12,H,13,,,O,5,,,,,,,,,,,,,,,,,
    1261,1089.236218,  0.3753,  175929.16, 1088.0201, 1089,   0,  -4, -20, 611,24.0,,O29 ,*, C,48,H,49,,,O,29,,,,,,,,,,,,,,,,,
    1262, 311.092492,  0.3750, 1354861.73,  310.7452,  311,   0, -11, 255, 612,11.0,,O5 ,,C,18,H,15,,,O,5,,,,,,,,,,,,,,,,,
    1263, 341.108033,  0.3747,  128346.89,  340.7272,  341,   0,  -9, 273, 613, 0.0,,,No Hit
    1264, 817.240886,  0.3733,  518722.76,  816.3285,  817,   0, -10,-328, 614,13.0,,O22 ,*, C,35,H,45,,,O,22,,,,,,,,,,,,,,,,,
    1265, 835.251532,  0.3723,  503939.90,  834.3190,  835,   0,  -6,-319, 615,12.0,,O23 ,*, C,35,H,47,,,O,23,,,,,,,,,,,,,,,,,
    1266,1053.336731,  0.3710,  398950.05, 1052.1607, 1053,   0, -12,-161, 616, 5.0,,O34 ,*, C,37,H,65,,,O,34,,,,,,,,,,,,,,,,,
    1267, 819.239519,  0.3704,  203310.67,  818.3249,  819,   0,  -8,-325, 617,38.0,,O2 S2 ,*, C,57,H,39,,,O,2,S,2,,,,,,,,,,,,,,,
    1268, 643.209142,  0.3700,  648728.49,  642.4910,  643,   0,  -2,-491, 618, 6.0,,O19 ,*, C,25,H,39,,,O,19,,,,,,,,,,,,,,,,,
    1269, 827.258574,  0.3688,  491345.60,  826.3350,  827,   0, -14,-335, 619,36.0,,N2 O5 S1 ,*, C,54,H,39,N,2,O,5,S,1,,,,,,,,,,,,,,,
    1270, 192.230736,  0.3687, 2208854.36,  192.0161,  193,   0,  -4, -16, 620, 0.0,,,No Hit
    1271, 487.107993,  0.3671,  775886.69,  486.5642,  487,   0,  -3, 436, 621, 0.0,,,No Hit
    1272, 229.050637,  0.3671, 1813295.58,  228.7949,  229,   0,  -9, 205, 622, 9.0,,O4 ,,C,13,H,9,,,O,4,,,,,,,,,,,,,,,,,
    1273, 341.109681,  0.3670,  128180.40,  340.7288,  341,   0,  -9, 271, 623, 1.0,,O6 S2 ,,C,13,H,25,,,O,6,S,2,,,,,,,,,,,,,,,
    1274, 531.153097,  0.3670,  765729.14,  530.5601,  531,   0,  -1, 440, 624, 0.0,,,No Hit
    1275,1055.629762,  0.3669,  294275.29, 1054.4512, 1055,   0, -10,-451, 625,17.0,,O6 S3 ,,C,64,H,95,,,O,6,S,3,,,,,,,,,,,,,,,
    1276, 417.122886,  0.3646, 1011237.64,  416.6572,  417,   0,  -3, 343, 626, 0.0,,,No Hit
    1277, 435.108530,  0.3622,  924595.57,  434.6228,  435,   0, -13, 377, 627,15.0,,O8 ,,C,24,H,19,,,O,8,,,,,,,,,,,,,,,,,
    1278, 891.281465,  0.3611,  612226.95,  890.2864,  891,   0,  -6,-286, 628,35.0,,O11 ,*, C,56,H,43,,,O,11,,,,,,,,,,,,,,,,,
    1279, 779.207614,  0.3608,  575753.37,  778.3377,  779,   0,  -6,-338, 629,38.0,,O7 ,*, C,53,H,31,,,O,7,,,,,,,,,,,,,,,,,
    1280, 443.134731,  0.3588,  910033.43,  442.6400,  443,   0,  -5, 360, 630,12.0,,O9 ,,C,23,H,23,,,O,9,,,,,,,,,,,,,,,,,
    1281,1005.973535,  0.3573,  455256.17, 1004.8504, 1005,   0,  -3, 150, 631,10.0,,O1 ,*, C,72,H,125,,,O,1,,,,,,,,,,,,,,,,,
    1282, 509.100872,  0.3558,  332508.77,  508.5325,  509,   0,  -9, 468, 632, 0.0,,,No Hit
    1283, 683.222441,  0.3557,  130497.60,  682.4597,  683,   0,  -4,-460, 633, 7.0,,O17 S1 ,*, C,28,H,43,,,O,17,S,1,,,,,,,,,,,,,,,
    1284, 567.184119,  0.3555,  669123.71,  566.5509,  567,   0,  -7, 449, 634, 7.0,,O16 13C2 ,#, C,21,H,33,,,O,16,,,,,13C,2, ,,,,,,,,,,
    1285,1070.110844,  0.3539,  288860.16, 1068.9161, 1069,   0,  -9,  84, 635,51.0,,N3 O17 ,*, C,61,H,24,N,3,O,17,,,,,,,,,,,,,,,,,
    1286, 847.282527,  0.3539,  459416.22,  846.3366,  847,   0,  -8,-337, 636,20.0,,O12 S2 ,*, C,45,H,51,,,O,12,S,2,,,,,,,,,,,,,,,
    1287,1029.486159,  0.1608,  217033.29, 1028.3368, 1029,   0,  -8,-337, 636,20.0,,O12 S2 ,*, C,58,H,77,,,O,12,S,2,,,,,,,,,,,,,,,
    1288, 507.150825,  0.3533,  776794.25,  506.5846,  507,   0, -11, 415, 637,11.0,,O12 ,*, C,24,H,27,,,O,12,,,,,,,,,,,,,,,,,
    1289, 267.143697,  0.3524, 1542066.24,  266.8454,  267,   0, -13, 155, 638, 0.0,,O4 34S1 ,#, C,12,H,25,,,O,4,,,,,,,34S,1, ,,,,,,,,
    1290, 611.178128,  0.3523,  703456.89,  610.4958,  611,   0,  -6,-496, 639,15.0,,O8 S2 ,,C,32,H,35,,,O,8,S,2,,,,,,,,,,,,,,,
    1291, 277.091859,  0.3519, 1978475.03,  276.7825,  277,   0,  -3, 218, 640, 0.0,,,No Hit
    1292, 349.102596,  0.3504, 1204247.47,  348.7128,  349,   0,  -1, 287, 641, 0.0,,,No Hit
    1293,1049.338682,  0.3502,  541088.58, 1048.1671, 1049,   0,  -2,-167, 642,37.0,,O15 ,*, C,63,H,53,,,O,15,,,,,,,,,,,,,,,,,
    1294, 291.108534,  0.3491, 1415966.17,  290.7835,  291,   0,  -3, 216, 643, 3.0,,O8 ,,C,12,H,19,,,O,8,,,,,,,,,,,,,,,,,
    1295, 987.812234,  0.3491,  320126.81,  986.7094,  987,   0,  -7, 291, 644,33.0,,N3 O31 S2 ,,C,32,H,2,N,3,O,31,S,2,,,,,,,,,,,,,,,
    1296, 725.214698,  0.3484,  634505.20,  724.4050,  725,   0,  -4,-405, 645, 9.0,,O21 ,*, C,29,H,41,,,O,21,,,,,,,,,,,,,,,,,
    1297, 451.136768,  0.3481,  964106.35,  450.6331,  451,   0, -11, 367, 646, 6.0,,O13 13C2 ,#, C,16,H,25,,,O,13,,,,,13C,2, ,,,,,,,,,,
    1298,1070.101996,  0.3481,  248483.57, 1068.9073, 1069,   0,  -9,  93, 647, 1.0,,O1 S1 ,*, C,73,H,145,,,O,1,S,1,,,,,,,,,,,,,,,
    1299, 341.064480,  0.2675, 1280537.86,  340.6837,  341,   0,  -9, 316, 648, 0.0,,,No Hit
    1300, 355.080111,  0.3479, 1157320.88,  354.6837,  355,   0,  -9, 316, 648, 0.0,,,No Hit
    1301, 701.214634,  0.3474,  572530.55,  700.4318,  701,   0, -14,-432, 649, 7.0,,O21 ,*, C,27,H,41,,,O,21,,,,,,,,,,,,,,,,,
    1302, 555.135505,  0.3469,  720849.27,  554.5157,  555,   0,  -5, 484, 650,11.0,,O15 ,*, C,24,H,27,,,O,15,,,,,,,,,,,,,,,,,
    1303, 583.166879,  0.1619,  609268.73,  582.5158,  583,   0,  -5, 484, 650,11.0,,O15 ,*, C,26,H,31,,,O,15,,,,,,,,,,,,,,,,,
    1304, 611.198102,  0.1919,  634364.02,  610.5157,  611,   0,  -5, 484, 650,11.0,,O15 ,*, C,28,H,35,,,O,15,,,,,,,,,,,,,,,,,
    1305, 885.758291,  0.3441,  519743.92,  884.7694,  885,   0, -11, 231, 651, 1.0,,O7 S1 ,,C,53,H,105,,,O,7,S,1,,,,,,,,,,,,,,,
    1306, 961.323060,  0.3440,  585215.81,  960.2498,  961,   0,  -6,-250, 652,36.0,,O12 ,*, C,60,H,49,,,O,12,,,,,,,,,,,,,,,,,
    1307,1089.256994,  0.3436,  215559.53, 1088.0409, 1089,   0,  -4, -41, 653,37.0,,N2 O20 ,*, C,58,H,45,N,2,O,20,,,,,,,,,,,,,,,,,
    1308, 649.210770,  0.3433,  650290.52,  648.4860,  649,   0, -10,-486, 654, 5.0,,O20 13C2 ,#, C,22,H,39,,,O,20,,,,,13C,2, ,,,,,,,,,,
    1309, 777.214328,  0.3403,  559214.68,  776.3466,  777,   0,  -8,-347, 655, 0.0,,,No Hit
    1310, 291.084687,  0.3387, 1044350.10,  290.7597,  291,   0,  -3, 240, 656, 0.0,,,No Hit
    1311, 335.056099,  0.3387, 1305017.90,  334.6820,  335,   0,  -1, 318, 657,14.0,,O6 ,,C,19,H,11,,,O,6,,,,,,,,,,,,,,,,,
    1312, 979.900357,  0.3366,  362584.10,  978.8063,  979,   0,  -1, 194, 658,15.0,,HC,*, C,72,H,115,,,,,,,,,,,,,,,,,,,,,
    1313, 471.129656,  0.3351,  841101.86,  470.6037,  471,   0,  -5, 396, 659,13.0,,O10 ,*, C,24,H,23,,,O,10,,,,,,,,,,,,,,,,,
    1314, 519.155580,  0.3350,  241509.03,  518.5760,  519,   0, -13, 424, 660, 0.0,,,No Hit
    1315, 547.165495,  0.3345, 1088295.12,  546.5546,  547,   0, -13, 445, 661, 0.0,,,No Hit
    1316, 589.156241,  0.2496,  635376.54,  588.4985,  589,   0, -14,-498, 662,14.0,,O14 ,*, C,28,H,29,,,O,14,,,,,,,,,,,,,,,,,
    1317, 603.171948,  0.3341,  725655.02,  602.4985,  603,   0, -14,-499, 662,14.0,,O14 ,*, C,29,H,31,,,O,14,,,,,,,,,,,,,,,,,
    1318, 971.566645,  0.3336,  376484.38,  970.4819,  971,   0, -10,-482, 663,25.0,,S3 ,,C,66,H,83,,,,,S,3,,,,,,,,,,,,,,,
    1319, 199.019293,  0.3333, 1974243.49,  198.7971,  199,   0, -11, 203, 664, 0.0,,,No Hit
    1320, 471.171903,  0.3329,  872623.53,  470.6459,  471,   0,  -5, 354, 665, 3.0,,O14 ,,C,18,H,31,,,O,14,,,,,,,,,,,,,,,,,
    1321, 597.344619,  0.3328,  688151.92,  596.6777,  597,   0,  -5, 322, 666, 0.0,,,No Hit
    1322, 525.161373,  0.3323,  816245.80,  524.5751,  525,   0,  -7, 425, 667,10.0,,O13 ,*, C,24,H,29,,,O,13,,,,,,,,,,,,,,,,,
    1323, 279.066279,  0.3321, 1527107.33,  278.7547,  279,   0,  -1, 245, 668,12.0,,O4 ,,C,17,H,11,,,O,4,,,,,,,,,,,,,,,,,
    1324, 557.149015,  0.3312,  703705.70,  556.5270,  557,   0,  -3, 473, 669, 0.0,,,No Hit
    1325, 537.124993,  0.3300,  616991.49,  536.5253,  537,   0,  -9, 475, 670,12.0,,O14 ,*, C,24,H,25,,,O,14,,,,,,,,,,,,,,,,,
    1326, 565.156246,  0.2232,  667976.99,  564.5253,  565,   0,  -9, 475, 670,12.0,,O14 ,*, C,26,H,29,,,O,14,,,,,,,,,,,,,,,,,
    1327, 579.171933,  0.1609,  600158.44,  578.5253,  579,   0,  -9, 475, 670,12.0,,O14 ,*, C,27,H,31,,,O,14,,,,,,,,,,,,,,,,,
    1328, 593.187573,  0.2345,  774827.28,  592.5253,  593,   0,  -9, 475, 670,12.0,,O14 ,*, C,28,H,33,,,O,14,,,,,,,,,,,,,,,,,
    1329, 917.299369,  0.3290,  484858.77,  916.2752,  917,   0,  -8,-275, 671, 5.0,,O29 ,*, C,33,H,57,,,O,29,,,,,,,,,,,,,,,,,
    1330, 509.147932,  0.3276,  810471.95,  508.5795,  509,   0,  -9, 421, 672, 1.0,,N2 O12 S2 ,,C,16,H,33,N,2,O,12,S,2,,,,,,,,,,,,,,,
    1331, 629.188406,  0.3272,  726157.80,  628.4859,  629,   0,  -2,-486, 673,14.0,,O9 S2 ,,C,32,H,37,,,O,9,S,2,,,,,,,,,,,,,,,
    1332, 705.694699,  0.3272,  594934.63,  704.9068,  705,   0,  -9,  93, 674, 0.0,,,No Hit
    1333, 483.093271,  0.3270,  792119.26,  482.5539,  483,   0,  -7, 446, 675,15.0,,O11 ,*, C,24,H,19,,,O,11,,,,,,,,,,,,,,,,,
    1334, 511.124596,  0.2164,  730935.35,  510.5539,  511,   0,  -7, 446, 675,15.0,,O11 ,*, C,26,H,23,,,O,11,,,,,,,,,,,,,,,,,
    1335, 525.140208,  0.2234,  824638.12,  524.5539,  525,   0,  -7, 446, 675,15.0,,O11 ,*, C,27,H,25,,,O,11,,,,,,,,,,,,,,,,,
    1336, 791.257675,  0.3262,  579066.74,  790.3743,  791,   0,  -8,-374, 676, 7.0,,N2 O23 ,,C,29,H,47,N,2,O,23,,,,,,,,,,,,,,,,,
    1337, 375.087400,  0.3259,  969501.98,  374.6686,  375,   0,  -3, 331, 677,15.0,,O6 ,,C,22,H,15,,,O,6,,,,,,,,,,,,,,,,,
    1338, 533.160923,  0.3087,  782041.13,  532.5657,  533,   0, -13, 434, 678,11.0,,N2 O4 S3 ,,C,26,H,33,N,2,O,4,S,3,,,,,,,,,,,,,,,
    1339, 547.176565,  0.3249,  728928.17,  546.5657,  547,   0, -13, 434, 678,11.0,,N2 O4 S3 ,,C,27,H,35,N,2,O,4,S,3,,,,,,,,,,,,,,,
    1340, 170.554909,  0.3247, 2235963.56,  170.3645,  171,   0, -12,-364, 679, 0.0,,,No Hit
    1341, 773.227996,  0.1614,  489475.95,  772.3647,  773,   0, -12,-365, 679, 0.0,,,No Hit
    1342, 489.140219,  0.3238,  815968.65,  488.5941,  489,   0,  -1, 406, 680,12.0,,O11 ,*, C,24,H,25,,,O,11,,,,,,,,,,,,,,,,,
    1343, 495.132479,  0.3235,  840249.19,  494.5797,  495,   0,  -9, 420, 681, 1.0,,N2 O12 S2 ,,C,15,H,31,N,2,O,12,S,2,,,,,,,,,,,,,,,
    1344, 589.177421,  0.3223,  636722.22,  588.5196,  589,   0, -13, 480, 682, 9.0,,O16 ,,C,25,H,33,,,O,16,,,,,,,,,,,,,,,,,
    1345, 293.009479,  0.3219, 1464791.70,  292.6823,  293,   0,  -1, 318, 683, 4.0,,N2 O3 S3 ,,C,9,H,13,N,2,O,3,S,3,,,,,,,,,,,,,,,
    1346, 601.193911,  0.3219,  674772.93,  600.5227,  601,   0,  -1, 477, 684, 0.0,,,No Hit
    1347, 625.375460,  0.3208,  679902.07,  624.6773,  625,   0,  -5, 323, 685,10.0,,O3 S2 ,,C,38,H,57,,,O,3,S,2,,,,,,,,,,,,,,,
    1348, 501.103834,  0.3194,  816170.86,  500.5444,  501,   0,  -3, 456, 686,14.0,,O12 ,*, C,24,H,21,,,O,12,,,,,,,,,,,,,,,,,
    1349, 557.166445,  0.2240,  710550.18,  556.5444,  557,   0,  -3, 456, 686,14.0,,O12 ,*, C,28,H,29,,,O,12,,,,,,,,,,,,,,,,,
    1350,1055.638663,  0.3177,  159672.96, 1054.4601, 1055,   0, -10,-460, 687,31.0,,O3 S1 ,,C,74,H,87,,,O,3,S,1,,,,,,,,,,,,,,,
    1351, 441.080550,  0.3177,  946727.02,  440.5881,  441,   0,  -7, 412, 688, 0.0,,,No Hit
    1352, 813.737041,  0.3167,  517073.38,  812.8285,  813,   0, -13, 171, 689, 0.0,,,No Hit
    1353, 477.146110,  0.3151,  832058.97,  476.6134,  477,   0, -13, 387, 690, 2.0,,O16 ,,C,16,H,29,,,O,16,,,,,,,,,,,,,,,,,
    1354, 669.188405,  0.3146,  617138.27,  668.4413,  669,   0,  -4,-441, 691, 8.0,,O20 ,*, C,26,H,37,,,O,20,,,,,,,,,,,,,,,,,
    1355, 711.235399,  0.1892,  612592.39,  710.4413,  711,   0,  -4,-441, 691, 8.0,,O20 ,*, C,29,H,43,,,O,20,,,,,,,,,,,,,,,,,
    1356, 897.020105,  0.3138,  380563.77,  896.0186,  897,   0, -14, -19, 692,39.0,,O12 S3 ,,C,49,H,21,,,O,12,S,3,,,,,,,,,,,,,,,
    1357, 953.082707,  0.1748,  202902.63,  952.0186,  953,   0, -14, -19, 692,39.0,,O12 S3 ,,C,53,H,29,,,O,12,S,3,,,,,,,,,,,,,,,
    1358, 323.099043,  0.3130,  133160.16,  322.7383,  323,   0, -13, 262, 693, 0.0,,,No Hit
    1359, 499.124566,  0.3126,  817541.32,  498.5673,  499,   0,  -5, 433, 694,14.0,,O11 ,*, C,25,H,23,,,O,11,,,,,,,,,,,,,,,,,
    1360, 565.135111,  0.3125,  692517.12,  564.5042,  565,   0,  -9, 496, 695,17.0,,O12 ,*, C,29,H,25,,,O,12,,,,,,,,,,,,,,,,,
    1361,1055.683171,  0.2517,  354409.31, 1054.5046, 1055,   0,  -9, 495, 695,17.0,,O12 ,*, C,64,H,95,,,O,12,,,,,,,,,,,,,,,,,
    1362, 202.941422,  0.3124, 2083400.23,  202.7148,  203,   0,  -7, 285, 696, 0.0,,,No Hit
    1363, 553.156256,  0.3121,  733587.64,  552.5387,  553,   0,  -7, 461, 697,11.0,,O14 ,*, C,25,H,29,,,O,14,,,,,,,,,,,,,,,,,
    1364, 613.198585,  0.3117,  659507.55,  612.5140,  613,   0,  -3, 486, 698, 6.0,,O18 ,,C,24,H,37,,,O,18,,,,,,,,,,,,,,,,,
    1365, 917.275835,  0.3116,  527688.53,  916.2517,  917,   0,  -8,-252, 699,41.0,,O9 ,*, C,61,H,41,,,O,9,,,,,,,,,,,,,,,,,
    1366, 853.262075,  0.3111,  532441.72,  852.3094,  853,   0,  -2,-309, 700,11.0,,O24 ,*, C,35,H,49,,,O,24,,,,,,,,,,,,,,,,,
    1367, 539.134770,  0.3097,  743630.80,  538.5329,  539,   0,  -7, 467, 701,20.0,,O9 ,*, C,31,H,23,,,O,9,,,,,,,,,,,,,,,,,
    1368, 711.217102,  0.3073,  120526.07,  710.4231,  711,   0,  -4,-423, 702,26.0,,N2 O7 S1 ,,C,42,H,35,N,2,O,7,S,1,,,,,,,,,,,,,,,
    1369, 725.232606,  0.3096,  115546.25,  724.4229,  725,   0,  -4,-423, 702,26.0,,N2 O7 S1 ,,C,43,H,37,N,2,O,7,S,1,,,,,,,,,,,,,,,
    1370, 517.135141,  0.3084,  750897.77,  516.5578,  517,   0,  -1, 442, 703,13.0,,O12 ,*, C,25,H,25,,,O,12,,,,,,,,,,,,,,,,,
    1371, 509.084953,  0.3084,  844734.34,  508.5166,  509,   0,  -9, 483, 704, 0.0,,,No Hit
    1372, 365.124157,  0.3082, 1128673.48,  364.7165,  365,   0, -13, 283, 705, 8.0,,O8 ,,C,18,H,21,,,O,8,,,,,,,,,,,,,,,,,
    1373, 431.077213,  0.3080,  996135.11,  430.5959,  431,   0,  -3, 404, 706,17.0,,O8 ,,C,24,H,15,,,O,8,,,,,,,,,,,,,,,,,
    1374, 743.225222,  0.3080,  566396.17,  742.3954,  743,   0, -14,-395, 707, 8.0,,O22 ,*, C,29,H,43,,,O,22,,,,,,,,,,,,,,,,,
    1375,1005.132252,  0.1694,  263528.62, 1004.0101, 1005,   0,  -4, -10, 708,68.0,,O1 S1 ,*, C,78,H,21,,,O,1,S,1,,,,,,,,,,,,,,,
    1376,1089.226425,  0.3068,  296594.89, 1088.0104, 1089,   0,  -4, -10, 708,68.0,,O1 S1 ,*, C,84,H,33,,,O,1,S,1,,,,,,,,,,,,,,,
    1377, 475.122379,  0.3050,  880353.71,  474.5919,  475,   0,  -1, 408, 709, 0.0,,,No Hit
    1378, 647.161777,  0.3049,  563854.70,  646.4393,  647,   0, -12,-439, 710,15.0,,O16 ,*, C,30,H,31,,,O,16,,,,,,,,,,,,,,,,,
    1379, 431.075025,  0.3040,  990910.26,  430.5937,  431,   0,  -3, 406, 711, 0.0,,,No Hit
    1380, 581.151211,  0.2248,  732702.04,  580.5024,  581,   0,  -7, 498, 712,12.0,,O15 ,*, C,26,H,29,,,O,15,,,,,,,,,,,,,,,,,
    1381, 595.166859,  0.2342,  657472.92,  594.5024,  595,   0,  -7, 498, 712,12.0,,O15 ,*, C,27,H,31,,,O,15,,,,,,,,,,,,,,,,,
    1382, 609.182528,  0.3039,  681129.18,  608.5024,  609,   0,  -7, 498, 712,12.0,,O15 ,*, C,28,H,33,,,O,15,,,,,,,,,,,,,,,,,
    1383, 355.124556,  0.3038, 1157332.59,  354.7281,  355,   0,  -9, 272, 713, 2.0,,O11 ,,C,13,H,23,,,O,11,,,,,,,,,,,,,,,,,
    1384, 847.284876,  0.3034,  472880.48,  846.3389,  847,   0,  -8,-339, 714, 4.0,,O27 13C2 ,#, C,28,H,53,,,O,27,,,,,13C,2, ,,,,,,,,,,
    1385,1029.488557,  0.1532,  214048.25, 1028.3392, 1029,   0,  -8,-339, 714, 4.0,,O27 13C2 ,#, C,41,H,79,,,O,27,,,,,13C,2, ,,,,,,,,,,
    1386, 763.649394,  0.3033,  346461.68,  762.7968,  763,   0,  -7, 203, 715, 0.0,,,No Hit
    1387, 821.044723,  0.3032,  412599.70,  820.1281,  821,   0,  -6,-128, 716, 4.0,,O36 ,*, C,18,H,29,,,O,36,,,,,,,,,,,,,,,,,
    1388, 359.108078,  0.3030, 1121632.72,  358.7072,  359,   0,  -5, 293, 717, 0.0,,,No Hit
    1389, 601.196616,  0.3029,  914146.04,  600.5254,  601,   0,  -1, 475, 718, 8.0,,O8 S3 ,,C,28,H,41,,,O,8,S,3,,,,,,,,,,,,,,,
    1390, 535.145709,  0.3022,  731776.29,  534.5482,  535,   0, -11, 452, 719,12.0,,O13 ,*, C,25,H,27,,,O,13,,,,,,,,,,,,,,,,,
    1391, 583.145710,  0.3020,  661550.00,  582.4947,  583,   0,  -6,-495, 720,16.0,,O13 ,*, C,29,H,27,,,O,13,,,,,,,,,,,,,,,,,
    1392, 867.246064,  0.3018,  504752.59,  866.2778,  867,   0,  -2,-278, 721, 0.0,,,No Hit
    1393, 625.177408,  0.2200,  645583.70,  624.4794,  625,   0,  -6,-479, 722,12.0,,O16 ,*, C,28,H,33,,,O,16,,,,,,,,,,,,,,,,,
    1394, 639.193060,  0.3014,  680161.23,  638.4794,  639,   0,  -6,-479, 722,12.0,,O16 ,*, C,29,H,35,,,O,16,,,,,,,,,,,,,,,,,
    1395, 659.204087,  0.3014,  643307.32,  658.4681,  659,   0, -14,-468, 723, 6.0,,O20 ,*, C,25,H,39,,,O,20,,,,,,,,,,,,,,,,,
    1396, 745.720475,  0.3002,  352116.56,  744.8879,  745,   0, -11, 112, 724, 0.0,,,No Hit
    1397, 571.166850,  0.2999,  758431.40,  570.5292,  571,   0,  -3, 471, 725,10.0,,O15 ,*, C,25,H,31,,,O,15,,,,,,,,,,,,,,,,,
    1398, 307.044625,  0.2991, 1408322.04,  306.7018,  307,   0,  -1, 298, 726, 0.0,,,No Hit
    1399, 547.124597,  0.2987,  725518.20,  546.5138,  547,   0, -13, 486, 727,18.0,,O11 ,*, C,29,H,23,,,O,11,,,,,,,,,,,,,,,,,
    1400, 897.044886,  0.2984,  445526.91,  896.0434,  897,   0, -14, -43, 728,18.0,,N2 O31 ,*, C,29,H,25,N,2,O,31,,,,,,,,,,,,,,,,,
    1401, 533.172298,  0.2978,  757214.73,  532.5770,  533,   0, -13, 423, 729, 3.0,,O17 ,,C,19,H,33,,,O,17,,,,,,,,,,,,,,,,,
    1402, 585.146178,  0.2498,  733726.22,  584.4929,  585,   0,  -4,-493, 730,11.0,,O16 ,*, C,25,H,29,,,O,16,,,,,,,,,,,,,,,,,
    1403, 599.161828,  0.2978,  720140.99,  598.4929,  599,   0,  -4,-493, 730,11.0,,O16 ,*, C,26,H,31,,,O,16,,,,,,,,,,,,,,,,,
    1404, 627.193104,  0.2752,  731957.55,  626.4929,  627,   0,  -4,-493, 730,11.0,,O16 ,*, C,28,H,35,,,O,16,,,,,,,,,,,,,,,,,
    1405, 781.254065,  0.2975,  482231.61,  780.3818,  781,   0,  -4,-382, 731,45.0,,O1 ,*, C,61,H,33,,,O,1,,,,,,,,,,,,,,,,,
    1406, 353.124171,  0.2974, 1170342.17,  352.7299,  353,   0, -11, 270, 732, 7.0,,O8 ,,C,17,H,21,,,O,8,,,,,,,,,,,,,,,,,
    1407, 867.814773,  0.2972,  415411.28,  866.8459,  867,   0,  -1, 154, 733,19.0,,N3 O36 S1 ,,C,18,H,2,N,3,O,36,S,1,,,,,,,,,,,,,,,
    1408, 185.045566,  0.1937, 2126689.27,  184.8390,  185,   0, -11, 161, 734, 4.0,,O5 ,,C,8,H,9,,,O,5,,,,,,,,,,,,,,,,,
    1409, 199.061215,  0.2971, 2012231.73,  198.8390,  199,   0, -11, 161, 734, 4.0,,O5 ,,C,9,H,11,,,O,5,,,,,,,,,,,,,,,,,
    1410, 175.024836,  0.1406, 2297423.09,  174.8294,  175,   0,  -7, 171, 735, 3.0,,O6 ,,C,6,H,7,,,O,6,,,,,,,,,,,,,,,,,
    1411, 189.040485,  0.1743, 1951778.07,  188.8294,  189,   0,  -7, 171, 735, 3.0,,O6 ,,C,7,H,9,,,O,6,,,,,,,,,,,,,,,,,
    1412, 203.056128,  0.2966, 1873700.26,  202.8294,  203,   0,  -7, 171, 735, 3.0,,O6 ,,C,8,H,11,,,O,6,,,,,,,,,,,,,,,,,
    1413, 231.087422,  0.1800, 1802829.01,  230.8294,  231,   0,  -7, 171, 735, 3.0,,O6 ,,C,10,H,15,,,O,6,,,,,,,,,,,,,,,,,
    1414, 427.306522,  0.2577, 1030720.20,  426.8295,  427,   0,  -7, 171, 735, 3.0,,O6 ,,C,24,H,43,,,O,6,,,,,,,,,,,,,,,,,
    1415, 689.193502,  0.2962,  644342.30,  688.4241,  689,   0, -12,-424, 736,11.0,,O19 ,*, C,29,H,37,,,O,19,,,,,,,,,,,,,,,,,
    1416, 721.198934,  0.2962,  417791.58,  720.3938,  721,   0,  -8,-394, 737,32.0,,N2 O2 S2 ,*, C,47,H,33,N,2,O,2,S,2,,,,,,,,,,,,,,,
    1417,1083.834707,  0.2939,  236415.15, 1082.6247, 1083,   0,  -9, 375, 738,14.0,,N2 O8 ,*, C,68,H,111,N,2,O,8,,,,,,,,,,,,,,,,,
    1418, 447.072132,  0.2932,  905463.82,  446.5730,  447,   0,  -1, 427, 739,17.0,,O9 ,,C,24,H,15,,,O,9,,,,,,,,,,,,,,,,,
    1419, 671.182948,  0.2922,  650161.85,  670.4336,  671,   0,  -2,-434, 740,12.0,,O18 ,*, C,29,H,35,,,O,18,,,,,,,,,,,,,,,,,
    1420,1051.675761,  0.2917,  292941.76, 1050.5016, 1051,   0, -13, 498, 741,36.0,,O1 ,*, C,79,H,87,,,O,1,,,,,,,,,,,,,,,,,
    1421, 625.198623,  0.2910,  703227.86,  624.5006,  625,   0,  -5, 499, 742, 7.0,,O18 ,*, C,25,H,37,,,O,18,,,,,,,,,,,,,,,,,
    1422, 593.151258,  0.1711,  660005.81,  592.4890,  593,   0, -10,-489, 743,13.0,,O15 ,*, C,27,H,29,,,O,15,,,,,,,,,,,,,,,,,
    1423, 607.166894,  0.2255,  676170.89,  606.4890,  607,   0, -10,-489, 743,13.0,,O15 ,*, C,28,H,31,,,O,15,,,,,,,,,,,,,,,,,
    1424, 621.182525,  0.2907,  745216.23,  620.4890,  621,   0, -10,-489, 743,13.0,,O15 ,*, C,29,H,33,,,O,15,,,,,,,,,,,,,,,,,
    1425, 687.182531,  0.2906,  528185.77,  686.4153,  687,   0, -14,-415, 744, 0.0,,,No Hit
    1426, 685.177804,  0.2906,  631898.93,  684.4128,  685,   0,  -2,-413, 745,34.0,,N2 S2 ,*, C,47,H,29,N,2,,,S,2,,,,,,,,,,,,,,,
    1427, 235.063073,  0.2905, 1755309.71,  234.8006,  235,   0,  -3, 199, 746, 0.0,,,No Hit
    1428, 297.243522,  0.2904, 1446064.27,  296.9117,  297,   0, -11,  88, 747, 2.0,,O3 ,,C,18,H,33,,,O,3,,,,,,,,,,,,,,,,,
    1429, 543.171869,  0.2897,  727342.74,  542.5654,  543,   0,  -3, 435, 748, 9.0,,O14 ,,C,24,H,31,,,O,14,,,,,,,,,,,,,,,,,
    1430, 379.080982,  0.2896, 1024269.29,  378.6578,  379,   0, -13, 342, 749, 0.0,,,No Hit
    1431, 855.613332,  0.1487,  237871.50,  854.6581,  855,   0, -13, 342, 749, 0.0,,,No Hit
    1432, 617.115170,  0.2891,  635549.02,  616.4262,  617,   0, -14,-426, 750,33.0,,N2 S2 ,*, C,42,H,21,N,2,,,S,2,,,,,,,,,,,,,,,
    1433, 343.124566,  0.2888, 1180294.05,  342.7415,  343,   0,  -7, 259, 751, 1.0,,O11 ,,C,12,H,23,,,O,11,,,,,,,,,,,,,,,,,
    1434, 971.534104,  0.2883,  357027.39,  970.4494,  971,   0, -10,-449, 752,36.0,,N2 S1 ,*, C,70,H,71,N,2,,,S,1,,,,,,,,,,,,,,,
    1435, 629.172341,  0.1704,  659852.29,  628.4699,  629,   0,  -2,-470, 753,11.0,,O17 ,*, C,27,H,33,,,O,17,,,,,,,,,,,,,,,,,
    1436, 643.188077,  0.2349,  694074.32,  642.4700,  643,   0,  -2,-470, 753,11.0,,O17 ,*, C,28,H,35,,,O,17,,,,,,,,,,,,,,,,,
    1437, 657.203651,  0.2883,  598609.47,  656.4699,  657,   0,  -2,-470, 753,11.0,,O17 ,*, C,29,H,37,,,O,17,,,,,,,,,,,,,,,,,
    1438, 290.564492,  0.2882,  750037.34,  290.2401,  291,   0,  -4,-240, 754, 0.0,,,No Hit
    1439, 509.101369,  0.2881,  302121.58,  508.5330,  509,   0,  -9, 467, 755, 0.0,,,No Hit
    1440, 509.089084,  0.2878,  532794.48,  508.5207,  509,   0,  -9, 479, 756, 0.0,,,No Hit
    1441, 551.140637,  0.2876,  785389.92,  550.5253,  551,   0,  -9, 475, 757,12.0,,O14 ,*, C,25,H,27,,,O,14,,,,,,,,,,,,,,,,,
    1442, 503.082934,  0.2670,  805228.91,  502.5213,  503,   0,  -1, 479, 758,14.0,,O13 ,,C,23,H,19,,,O,13,,,,,,,,,,,,,,,,,
    1443, 559.145617,  0.2410,  731255.29,  558.5214,  559,   0,  -1, 479, 758,14.0,,O13 ,,C,27,H,27,,,O,13,,,,,,,,,,,,,,,,,
    1444, 573.161365,  0.2875,  651029.27,  572.5215,  573,   0,  -1, 479, 758,14.0,,O13 ,,C,28,H,29,,,O,13,,,,,,,,,,,,,,,,,
    1445, 845.233672,  0.2872,  509982.71,  844.2900,  845,   0, -10,-290, 759,45.0,,O5 ,*, C,61,H,33,,,O,5,,,,,,,,,,,,,,,,,
    1446, 649.156603,  0.2867,  538585.72,  648.4319,  649,   0, -10,-432, 760,19.0,,O14 ,*, C,33,H,29,,,O,14,,,,,,,,,,,,,,,,,
    1447, 971.516478,  0.1888,  118514.85,  970.4318,  971,   0, -10,-432, 760,19.0,,O14 ,*, C,56,H,75,,,O,14,,,,,,,,,,,,,,,,,
    1448, 603.202778,  0.2867,  710059.81,  602.5293,  603,   0, -13, 471, 761,12.0,,N2 O5 S3 ,,C,30,H,39,N,2,O,5,S,3,,,,,,,,,,,,,,,
    1449,1051.336414,  0.2862,  435468.13, 1050.1626, 1051,   0, -14,-163, 762,36.0,,O13 S1 ,*, C,63,H,55,,,O,13,S,1,,,,,,,,,,,,,,,
    1450, 327.180081,  0.2859, 1258955.22,  326.8148,  327,   0,  -9, 185, 763, 4.0,,O3 34S1 ,#, C,18,H,29,,,O,3,,,,,,,34S,1, ,,,,,,,,
    1451, 897.038691,  0.2854,  322155.19,  896.0372,  897,   0, -14, -37, 764,27.0,,N2 O26 ,*, C,36,H,21,N,2,O,26,,,,,,,,,,,,,,,,,
    1452, 487.237085,  0.2854,  847746.06,  486.6931,  487,   0,  -3, 307, 765, 5.0,,O8 S1 ,,C,24,H,39,,,O,8,S,1,,,,,,,,,,,,,,,
    1453, 503.117299,  0.2848,  784905.35,  502.5556,  503,   0,  -1, 444, 766, 0.0,,,No Hit
    1454, 605.172357,  0.2844,  665759.01,  604.4967,  605,   0, -12,-497, 767, 9.0,,O17 ,,C,25,H,33,,,O,17,,,,,,,,,,,,,,,,,
    1455, 399.237021,  0.2840, 1026232.45,  398.7913,  399,   0,  -7, 209, 768, 9.0,,N1 O4 13C1 ,#, C,23,H,32,N,1,O,4,,,,,13C,1, ,,,,,,,,,,
    1456, 314.952114,  0.2839, 1363761.41,  314.6005,  315,   0,  -7, 400, 769, 0.0,,,No Hit
    1457, 195.051538,  0.2837, 2059121.40,  194.8338,  195,   0,  -1, 166, 770, 0.0,,,No Hit
    1458, 871.403379,  0.2833,  146663.31,  870.4305,  871,   0, -12,-430, 771,28.0,,O6 S1 ,*, C,57,H,59,,,O,6,S,1,,,,,,,,,,,,,,,
    1459, 283.263176,  0.2830,  152364.66,  282.9469,  283,   0, -11,  53, 772, 0.0,,,No Hit
    1460, 611.180950,  0.2826,  161857.63,  610.4986,  611,   0,  -6,-499, 773,10.0,,O8 S3 ,,C,29,H,39,,,O,8,S,3,,,,,,,,,,,,,,,
    1461, 571.145735,  0.2343,  655403.19,  570.5081,  571,   0,  -3, 492, 774,15.0,,O13 ,*, C,28,H,27,,,O,13,,,,,,,,,,,,,,,,,
    1462, 585.161340,  0.2820,  724895.32,  584.5080,  585,   0,  -3, 492, 774,15.0,,O13 ,*, C,29,H,29,,,O,13,,,,,,,,,,,,,,,,,
    1463, 999.304895,  0.2792,  432102.15,  998.1892,  999,   0, -10,-189, 775, 8.0,,O31 ,*, C,37,H,59,,,O,31,,,,,,,,,,,,,,,,,
    1464,1013.320639,  0.2811,  436440.61, 1012.1893, 1013,   0, -10,-189, 775, 8.0,,O31 ,*, C,38,H,61,,,O,31,,,,,,,,,,,,,,,,,
    1465,1003.504874,  0.2811,  188592.62, 1002.3845, 1003,   0,  -6,-385, 776,22.0,,O6 S3 ,,C,61,H,79,,,O,6,S,3,,,,,,,,,,,,,,,
    1466, 859.137626,  0.2808,  182875.49,  858.1784,  859,   0, -10,-178, 777,52.0,,O3 S1 ,*, C,63,H,23,,,O,3,S,1,,,,,,,,,,,,,,,
    1467, 289.081484,  0.2801, 1534220.66,  288.7587,  289,   0,  -5, 241, 778, 0.0,,,No Hit
    1468, 555.150787,  0.2796,  724507.46,  554.5310,  555,   0,  -5, 469, 779,15.0,,O12 ,*, C,28,H,27,,,O,12,,,,,,,,,,,,,,,,,
    1469, 995.874579,  0.2795,  454981.99,  994.7627,  995,   0, -13, 237, 780,29.0,,N3 O31 S2 ,,C,32,H,10,N,3,O,31,S,2,,,,,,,,,,,,,,,
    1470, 281.081933,  0.2790, 1439176.00,  280.7681,  281,   0, -13, 232, 781,11.0,,O4 ,,C,17,H,13,,,O,4,,,,,,,,,,,,,,,,,
    1471, 783.268732,  0.2790,  551381.84,  782.3943,  783,   0,  -2,-394, 782, 5.0,,O24 13C2 ,#, C,27,H,49,,,O,24,,,,,13C,2, ,,,,,,,,,,
    1472, 995.852991,  0.2788,  109517.14,  994.7412,  995,   0, -13, 259, 783,35.0,,N3 O34 ,*, C,34,H,2,N,3,O,34,,,,,,,,,,,,,,,,,
    1473, 859.140264,  0.2786,  182404.43,  858.1811,  859,   0, -10,-181, 784,48.0,,O8 ,*, C,59,H,23,,,O,8,,,,,,,,,,,,,,,,,
    1474, 971.265580,  0.1870,  398367.67,  970.1812,  971,   0, -10,-181, 784,48.0,,O8 ,*, C,67,H,39,,,O,8,,,,,,,,,,,,,,,,,
    1475, 517.177394,  0.2778,  751424.76,  516.6000,  517,   0,  -1, 400, 785, 3.0,,O16 ,,C,19,H,33,,,O,16,,,,,,,,,,,,,,,,,
    1476, 769.241040,  0.2775,  496853.86,  768.3822,  769,   0,  -2,-382, 786, 9.0,,O22 ,*, C,31,H,45,,,O,22,,,,,,,,,,,,,,,,,
    1477, 419.129207,  0.2774,  994978.67,  418.6613,  419,   0,  -1, 339, 787, 9.0,,N2 O1 S3 ,,C,21,H,27,N,2,O,1,S,3,,,,,,,,,,,,,,,
    1478, 517.283549,  0.2773,  760333.15,  516.7060,  517,   0,  -1, 294, 788, 0.0,,,No Hit
    1479, 613.187157,  0.2759,  609637.27,  612.5026,  613,   0,  -3, 497, 789,14.0,,N2 O5 S3 ,,C,31,H,37,N,2,O,5,S,3,,,,,,,,,,,,,,,
    1480, 239.076706,  0.2758, 1442818.84,  238.8098,  239,   0, -13, 190, 790, 0.0,,,No Hit
    1481, 553.135112,  0.2228,  734535.94,  552.5176,  553,   0,  -7, 482, 791,16.0,,O12 ,*, C,28,H,25,,,O,12,,,,,,,,,,,,,,,,,
    1482, 567.150768,  0.2752,  678855.73,  566.5176,  567,   0,  -7, 482, 791,16.0,,O12 ,*, C,29,H,27,,,O,12,,,,,,,,,,,,,,,,,
    1483, 403.082286,  0.2747,  997346.53,  402.6323,  403,   0,  -3, 368, 792,16.0,,O7 ,,C,23,H,15,,,O,7,,,,,,,,,,,,,,,,,
    1484, 379.125706,  0.2741, 1072148.63,  378.7024,  379,   0, -13, 298, 793, 0.0,,,No Hit
    1485, 905.979864,  0.2734,  514090.89,  904.9684,  905,   0,  -5,  32, 794,48.0,,N1 O17 ,*, C,51,H,8,N,1,O,17,,,,,,,,,,,,,,,,,
    1486, 821.047703,  0.2734,  377598.66,  820.1310,  821,   0,  -6,-131, 795,26.0,,O23 ,*, C,36,H,21,,,O,23,,,,,,,,,,,,,,,,,
    1487, 651.684110,  0.2732,  573589.32,  650.9565,  651,   0,  -7,  43, 796, 0.0,,,No Hit
    1488, 343.045698,  0.2727, 1559246.24,  342.6627,  343,   0,  -7, 337, 797, 0.0,,,No Hit
    1489,1089.248705,  0.2726,  122686.22, 1088.0326, 1089,   0,  -4, -33, 798, 6.0,,O39 ,*, C,34,H,57,,,O,39,,,,,,,,,,,,,,,,,
    1490,1029.493133,  0.2722,  269266.51, 1028.3438, 1029,   0,  -8,-344, 799, 0.0,,,No Hit
    1491, 765.209652,  0.2595,  538732.58,  764.3553,  765,   0,  -6,-355, 800,11.0,,O22 ,*, C,31,H,41,,,O,22,,,,,,,,,,,,,,,,,
    1492, 779.225281,  0.2720,  600598.26,  778.3553,  779,   0,  -6,-355, 800,11.0,,O22 ,*, C,32,H,43,,,O,22,,,,,,,,,,,,,,,,,
    1493, 359.073545,  0.2718, 1109059.91,  358.6727,  359,   0,  -5, 327, 801, 0.0,,,No Hit
    1494, 577.284746,  0.2713,  663618.53,  576.6402,  577,   0, -11, 360, 802,10.0,,N1 O10 13C1 ,#, C,29,H,42,N,1,O,10,,,,,13C,1, ,,,,,,,,,,
    1495,1004.044246,  0.2707,  218208.13, 1002.9233, 1003,   0,  -5,  77, 803,62.0,,N1 O8 S1 ,*, C,68,H,14,N,1,O,8,S,1,,,,,,,,,,,,,,,
    1496, 597.203604,  0.2707,  664131.77,  596.5369,  597,   0,  -5, 463, 804, 6.0,,O17 ,,C,24,H,37,,,O,17,,,,,,,,,,,,,,,,,
    1497, 972.084983,  0.2700,  404054.96,  970.9997,  971,   0,  -9,   0, 805,70.0,,N1 S1 ,*, C,76,H,14,N,1,,,S,1,,,,,,,,,,,,,,,
    1498, 535.124584,  0.2151,  790387.70,  534.5271,  535,   0, -11, 473, 806,17.0,,O11 ,*, C,28,H,23,,,O,11,,,,,,,,,,,,,,,,,
    1499, 549.140213,  0.2699,  657177.07,  548.5271,  549,   0, -11, 473, 806,17.0,,O11 ,*, C,29,H,25,,,O,11,,,,,,,,,,,,,,,,,
    1500, 283.265288,  0.2697, 1039179.74,  282.9490,  283,   0, -11,  51, 807, 0.0,,,No Hit
    1501,1067.352484,  0.2693,  408346.08, 1066.1608, 1067,   0, -12,-161, 808,31.0,,O16 S1 ,*, C,60,H,59,,,O,16,S,1,,,,,,,,,,,,,,,
    1502, 811.261326,  0.2687,  527108.94,  810.3556,  811,   0,  -2,-356, 809,22.0,,O10 S2 ,*, C,45,H,47,,,O,10,S,2,,,,,,,,,,,,,,,
    1503, 459.127447,  0.2680,  866489.68,  458.6149,  459,   0,  -3, 385, 810, 0.0,,,No Hit
    1504, 799.521020,  0.2678,  476645.68,  798.6284,  799,   0, -13, 372, 811, 6.0,,O13 ,*, C,43,H,75,,,O,13,,,,,,,,,,,,,,,,,
    1505, 995.305161,  0.2666,  283201.94,  994.1940,  995,   0, -14,-194, 812,44.0,,O7 S1 ,*, C,67,H,47,,,O,7,S,1,,,,,,,,,,,,,,,
    1506, 547.163011,  0.2649,  700413.12,  546.5521,  547,   0, -13, 448, 813, 4.0,,N2 O17 ,,C,18,H,31,N,2,O,17,,,,,,,,,,,,,,,,,
    1507, 753.209612,  0.2647,  507845.25,  752.3687,  753,   0,  -4,-369, 814,10.0,,O22 ,*, C,30,H,41,,,O,22,,,,,,,,,,,,,,,,,
    1508, 821.518913,  0.2640,  158149.96,  820.6017,  821,   0,  -5, 398, 815,16.0,,S3 ,,C,54,H,77,,,,,S,3,,,,,,,,,,,,,,,
    1509,1051.702486,  0.2636,  346972.33, 1050.5283, 1051,   0, -13, 472, 816,13.0,,N2 O10 S1 ,,C,61,H,99,N,2,O,10,S,1,,,,,,,,,,,,,,,
    1510, 821.508035,  0.2626,  227424.54,  820.5909,  821,   0,  -5, 409, 817, 0.0,,,No Hit
    1511, 594.763844,  0.2617,  692823.76,  594.0998,  595,   0,  -8,-100, 818, 0.0,,,No Hit
    1512, 581.191014,  0.2615,  672527.81,  580.5421,  581,   0,  -7, 458, 819,33.0,,O1 ,*, C,45,H,25,,,O,1,,,,,,,,,,,,,,,,,
    1513, 821.515999,  0.2615,  157569.24,  820.5988,  821,   0,  -5, 401, 820,21.0,,S2 ,,C,57,H,73,,,,,S,2,,,,,,,,,,,,,,,
    1514, 959.309871,  0.2614,  447243.78,  958.2388,  959,   0,  -8,-239, 821, 6.0,,O30 ,*, C,35,H,59,,,O,30,,,,,,,,,,,,,,,,,
    1515, 325.062804,  0.2612, 1321158.53,  324.6999,  325,   0, -11, 300, 822,13.0,,O6 13C2 ,#, C,16,H,11,,,O,6,,,,,13C,2, ,,,,,,,,,,
    1516, 387.069928,  0.2611,  980574.14,  386.6378,  387,   0,  -5, 362, 823, 0.0,,,No Hit
    1517, 523.179021,  0.2610,  734015.05,  522.5949,  523,   0,  -9, 405, 824, 2.0,,O17 13C2 ,#, C,16,H,33,,,O,17,,,,,13C,2, ,,,,,,,,,,
    1518, 191.056128,  0.2605, 2240849.53,  190.8428,  191,   0,  -5, 157, 825, 2.0,,O6 ,,C,7,H,11,,,O,6,,,,,,,,,,,,,,,,,
    1519, 439.085799,  0.2604,  955138.57,  438.5956,  439,   0,  -9, 404, 826,14.0,,O7 S1 ,,C,23,H,19,,,O,7,S,1,,,,,,,,,,,,,,,
    1520, 310.993547,  0.2601, 1419840.73,  310.6463,  311,   0, -11, 354, 827, 0.0,,,No Hit
    1521, 905.297099,  0.2598,  497071.54,  904.2864,  905,   0,  -6,-286, 828,35.0,,O11 ,*, C,57,H,45,,,O,11,,,,,,,,,,,,,,,,,
    1522, 631.197742,  0.2597,  700083.83,  630.4930,  631,   0, -14,-493, 829,13.0,,N2 O6 S3 ,,C,31,H,39,N,2,O,6,S,3,,,,,,,,,,,,,,,
    1523, 321.076842,  0.2594, 1279071.27,  320.7184,  321,   0,  -1, 282, 830,13.0,,O5 ,,C,19,H,13,,,O,5,,,,,,,,,,,,,,,,,
    1524,1043.307759,  0.2594,  437912.49, 1042.1430, 1043,   0,  -8,-143, 831,44.0,,O12 ,*, C,67,H,47,,,O,12,,,,,,,,,,,,,,,,,
    1525, 387.118248,  0.2589, 1020928.85,  386.6860,  387,   0,  -5, 314, 832, 0.0,,,No Hit
    1526, 881.257019,  0.2583,  211475.81,  880.2731,  881,   0,  -2,-273, 833,12.0,,O25 ,*, C,36,H,49,,,O,25,,,,,,,,,,,,,,,,,
    1527, 957.779452,  0.2576,  478652.11,  956.7101,  957,   0,  -9, 290, 834, 2.0,,O9 S1 ,,C,56,H,109,,,O,9,S,1,,,,,,,,,,,,,,,
    1528, 629.151234,  0.2576,  723713.33,  628.4488,  629,   0,  -2,-449, 835,16.0,,O15 ,*, C,30,H,29,,,O,15,,,,,,,,,,,,,,,,,
    1529, 657.182714,  0.2014,  605373.64,  656.4490,  657,   0,  -2,-449, 835,16.0,,O15 ,*, C,32,H,33,,,O,15,,,,,,,,,,,,,,,,,
    1530, 633.167144,  0.2165,  584396.90,  632.4602,  633,   0, -12,-460, 836,10.0,,O18 ,*, C,26,H,33,,,O,18,,,,,,,,,,,,,,,,,
    1531, 647.182886,  0.1889,  573365.27,  646.4603,  647,   0, -12,-460, 836,10.0,,O18 ,*, C,27,H,35,,,O,18,,,,,,,,,,,,,,,,,
    1532, 675.214277,  0.2567,  628554.79,  674.4604,  675,   0, -12,-460, 836,10.0,,O18 ,*, C,29,H,39,,,O,18,,,,,,,,,,,,,,,,,
    1533, 511.144654,  0.2567, 1201642.89,  510.5740,  511,   0,  -7, 426, 837, 0.0,,,No Hit
    1534, 307.040394,  0.2567, 1225033.46,  306.6976,  307,   0,  -1, 302, 838, 8.0,,N2 S3 ,,C,14,H,15,N,2,,,S,3,,,,,,,,,,,,,,,
    1535,1089.244787,  0.2565,  121075.18, 1088.0287, 1089,   0,  -4, -29, 839,28.0,,N2 O23 S1 ,*, C,51,H,49,N,2,O,23,S,1,,,,,,,,,,,,,,,
    1536, 987.821804,  0.2553,  471985.83,  986.7189,  987,   0,  -7, 281, 840,28.0,,N1 O34 S2 ,,C,30,H,6,N,1,O,34,S,2,,,,,,,,,,,,,,,
    1537, 299.259177,  0.2552, 1328663.41,  298.9251,  299,   0,  -9,  75, 841, 1.0,,O3 ,,C,18,H,35,,,O,3,,,,,,,,,,,,,,,,,
    1538,1070.119877,  0.1618,  293310.44, 1068.9251, 1069,   0,  -9,  75, 841, 1.0,,O3 ,,C,73,H,145,,,O,3,,,,,,,,,,,,,,,,,
    1539, 971.529470,  0.2542,  167751.33,  970.4448,  971,   0, -10,-445, 842,27.0,,O6 S1 ,*, C,64,H,75,,,O,6,S,1,,,,,,,,,,,,,,,
    1540, 228.578216,  0.2537, 1776394.23,  228.3230,  229,   0, -10,-323, 843, 0.0,,,No Hit
    1541, 623.182929,  0.2535,  681369.71,  622.4872,  623,   0,  -8,-487, 844, 8.0,,O18 ,,C,25,H,35,,,O,18,,,,,,,,,,,,,,,,,
    1542, 243.027711,  0.2525, 1768965.59,  242.7564,  243,   0,  -9, 244, 845, 0.0,,,No Hit
    1543, 395.136609,  0.2524, 1071206.97,  394.6955,  395,   0, -11, 305, 846, 0.0,,,No Hit
    1544, 811.263636,  0.2522,  544709.18,  810.3579,  811,   0,  -2,-358, 847, 6.0,,O25 13C2 ,#, C,28,H,49,,,O,25,,,,,13C,2, ,,,,,,,,,,
    1545, 969.294354,  0.2517,  421345.17,  968.2122,  969,   0, -12,-212, 848, 8.0,,O30 ,*, C,36,H,57,,,O,30,,,,,,,,,,,,,,,,,
    1546, 789.624282,  0.2513,  478710.43,  788.7427,  789,   0,  -9, 257, 849, 0.0,,,No Hit
    1547, 371.110530,  0.2511, 1106040.24,  370.6962,  371,   0,  -7, 304, 850, 3.0,,O12 13C2 ,#, C,11,H,21,,,O,12,,,,,13C,2, ,,,,,,,,,,
    1548, 581.345367,  0.1901,  674124.46,  580.6963,  581,   0,  -7, 304, 850, 3.0,,O12 13C2 ,#, C,26,H,51,,,O,12,,,,,13C,2, ,,,,,,,,,,
    1549, 609.376694,  0.2339,  745442.22,  608.6964,  609,   0,  -7, 304, 850, 3.0,,O12 13C2 ,#, C,28,H,55,,,O,12,,,,,13C,2, ,,,,,,,,,,
    1550, 225.055728,  0.2204, 1811313.39,  224.8045,  225,   0, -13, 196, 851,10.0,,O3 ,,C,14,H,9,,,O,3,,,,,,,,,,,,,,,,,
    1551, 239.071372,  0.2509, 1654600.78,  238.8045,  239,   0, -13, 196, 851,10.0,,O3 ,,C,15,H,11,,,O,3,,,,,,,,,,,,,,,,,
    1552, 575.446841,  0.1650,  516120.82,  574.8044,  575,   0, -13, 196, 851,10.0,,O3 ,,C,39,H,59,,,O,3,,,,,,,,,,,,,,,,,
    1553, 541.142636,  0.2506,  733624.00,  540.5385,  541,   0,  -5, 462, 852, 0.0,,,No Hit
    1554, 821.057968,  0.2503,  261596.84,  820.1413,  821,   0,  -6,-141, 853,38.0,,O10 S2 ,*, C,48,H,21,,,O,10,S,2,,,,,,,,,,,,,,,
    1555, 587.161764,  0.2502,  635521.61,  586.5062,  587,   0,  -1, 494, 854,10.0,,O16 ,*, C,25,H,31,,,O,16,,,,,,,,,,,,,,,,,
    1556, 385.126193,  0.2493,  889626.12,  384.6962,  385,   0,  -7, 304, 855, 3.0,,O12 13C2 ,#, C,12,H,23,,,O,12,,,,,13C,2, ,,,,,,,,,,
    1557, 613.189610,  0.2491,  662528.05,  612.5050,  613,   0,  -3, 495, 856, 7.0,,O18 13C2 ,#, C,22,H,35,,,O,18,,,,,13C,2, ,,,,,,,,,,
    1558, 365.089644,  0.2491, 1049364.58,  364.6820,  365,   0, -13, 318, 857, 0.0,,,No Hit
    1559, 843.780158,  0.2489,  240600.53,  842.8381,  843,   0, -11, 162, 858, 0.0,,,No Hit
    1560,1011.845774,  0.2480,  387222.20, 1010.7161, 1011,   0, -11, 284, 859, 2.0,,O6 S2 ,*, C,61,H,119,,,O,6,S,2,,,,,,,,,,,,,,,
    1561, 138.546738,  0.1275, 2478725.66,  138.3921,  139,   0,  -2,-392, 860, 0.0,,,No Hit
    1562, 769.251012,  0.1758,  463070.16,  768.3922,  769,   0,  -2,-392, 860, 0.0,,,No Hit
    1563, 783.266453,  0.2473,  471660.24,  782.3920,  783,   0,  -2,-392, 860, 0.0,,,No Hit
    1564, 972.065199,  0.2469,  270626.73,  970.9799,  971,   0,  -9,  20, 861,18.0,,N1 O34 ,*, C,32,H,30,N,1,O,34,,,,,,,,,,,,,,,,,
    1565, 515.284454,  0.2467,  817217.67,  514.7092,  515,   0,  -3, 291, 862,10.0,,N1 O7 13C1 ,#, C,28,H,40,N,1,O,7,,,,,13C,1, ,,,,,,,,,,
    1566, 875.279743,  0.2186,  430722.85,  874.3025,  875,   0,  -8,-303, 863, 5.0,,O28 13C2 ,#, C,29,H,53,,,O,28,,,,,13C,2, ,,,,,,,,,,
    1567, 889.295500,  0.2464,  471629.32,  888.3026,  889,   0,  -8,-303, 863, 5.0,,O28 13C2 ,#, C,30,H,55,,,O,28,,,,,13C,2, ,,,,,,,,,,
    1568, 569.151178,  0.2460,  610800.99,  568.5157,  569,   0,  -5, 484, 864,11.0,,O15 ,*, C,25,H,29,,,O,15,,,,,,,,,,,,,,,,,
    1569, 279.099596,  0.2456, 1480274.18,  278.7880,  279,   0,  -1, 212, 865, 3.0,,O8 13C2 ,#, C,9,H,17,,,O,8,,,,,13C,2, ,,,,,,,,,,
    1570, 745.723165,  0.2450,  428816.63,  744.8906,  745,   0, -11, 109, 866, 7.0,,O1 ,,C,53,H,93,,,O,1,,,,,,,,,,,,,,,,,
    1571, 823.272639,  0.2450,  481636.75,  822.3535,  823,   0,  -4,-353, 867, 6.0,,O25 ,*, C,31,H,51,,,O,25,,,,,,,,,,,,,,,,,
    1572, 971.522744,  0.2442,  448533.28,  970.4381,  971,   0, -10,-438, 868,36.0,,O1 S1 ,*, C,71,H,71,,,O,1,S,1,,,,,,,,,,,,,,,
    1573, 509.102702,  0.2442,  366156.31,  508.5343,  509,   0,  -9, 466, 869, 0.0,,,No Hit
    1574, 859.113138,  0.2442,  137562.51,  858.1540,  859,   0, -10,-154, 870,62.0,,O1 ,,C,69,H,15,,,O,1,,,,,,,,,,,,,,,,,
    1575, 277.093365,  0.2435,  239628.77,  276.7840,  277,   0,  -3, 216, 871, 0.0,,,No Hit
    1576, 647.201719,  0.2434,  628903.54,  646.4791,  647,   0, -12,-479, 872,36.0,,O2 ,*, C,49,H,27,,,O,2,,,,,,,,,,,,,,,,,
    1577, 975.288378,  0.2428,  455404.03,  974.1995,  975,   0,  -6,-200, 873,20.0,,N2 O23 ,,C,44,H,51,N,2,O,23,,,,,,,,,,,,,,,,,
    1578, 754.961495,  0.2414,  304006.17,  754.1186,  755,   0,  -2,-119, 874,47.0,,N2 O8 S1 ,*, C,47,H,3,N,2,O,8,S,1,,,,,,,,,,,,,,,
    1579, 277.093526,  0.2410,  239465.19,  276.7842,  277,   0,  -3, 216, 875, 0.0,,,No Hit
    1580, 387.097355,  0.2404, 1056582.78,  386.6652,  387,   0,  -5, 335, 876, 3.0,,N1 O13 13C1 ,#, C,11,H,20,N,1,O,13,,,,,13C,1, ,,,,,,,,,,
    1581, 867.801520,  0.2402,  353286.01,  866.8327,  867,   0,  -1, 167, 877, 0.0,,,No Hit
    1582, 653.172329,  0.2388,  635643.95,  652.4431,  653,   0,  -6,-443, 878,13.0,,O17 ,*, C,29,H,33,,,O,17,,,,,,,,,,,,,,,,,
    1583,1083.777007,  0.2385,  263107.06, 1082.5670, 1083,   0,  -9, 433, 879,20.0,,N2 O7 ,,C,70,H,103,N,2,O,7,,,,,,,,,,,,,,,,,
    1584, 971.526259,  0.2384,  165242.25,  970.4416,  971,   0, -10,-442, 880,31.0,,O1 S2 ,*, C,68,H,75,,,O,1,S,2,,,,,,,,,,,,,,,
    1585, 799.230401,  0.2378,  586954.76,  798.3381,  799,   0, -14,-338, 881,14.0,,O21 ,*, C,35,H,43,,,O,21,,,,,,,,,,,,,,,,,
    1586, 889.281151,  0.2377,  584228.58,  888.2883,  889,   0,  -8,-288, 882,39.0,,O3 S2 ,*, C,61,H,45,,,O,3,S,2,,,,,,,,,,,,,,,
    1587, 255.233800,  0.2377, 1283893.62,  254.9488,  255,   0, -11,  51, 883, 0.0,,,No Hit
    1588, 225.062142,  0.2374,  995721.69,  224.8109,  225,   0, -13, 189, 884, 0.0,,,No Hit
    1589, 323.052748,  0.2372, 1249840.26,  322.6921,  323,   0, -13, 308, 885, 0.0,,,No Hit
    1590,1011.854455,  0.2371,  159022.29, 1010.7248, 1011,   0, -11, 275, 886,34.0,,N1 O33 S1 ,*, C,36,H,6,N,1,O,33,S,1,,,,,,,,,,,,,,,
    1591,1011.850838,  0.2370,  159001.12, 1010.7212, 1011,   0, -11, 279, 887,30.0,,N3 O35 S1 ,*, C,31,H,6,N,3,O,35,S,1,,,,,,,,,,,,,,,
    1592, 897.023482,  0.2370,  250438.43,  896.0220,  897,   0, -14, -22, 888,23.0,,N2 O29 ,,C,32,H,21,N,2,O,29,,,,,,,,,,,,,,,,,
    1593, 953.086132,  0.1572,  354848.84,  952.0221,  953,   0, -14, -22, 888,23.0,,N2 O29 ,,C,36,H,29,N,2,O,29,,,,,,,,,,,,,,,,,
    1594, 897.010396,  0.2370,  314726.34,  896.0089,  897,   0, -14,  -9, 889,54.0,,O12 ,*, C,58,H,9,,,O,12,,,,,,,,,,,,,,,,,
    1595, 361.115123,  0.2367, 1070101.04,  360.7120,  361,   0,  -3, 288, 890, 0.0,,,No Hit
    1596, 221.081946,  0.2366, 1775941.98,  220.8351,  221,   0,  -3, 165, 891, 6.0,,O4 ,,C,12,H,13,,,O,4,,,,,,,,,,,,,,,,,
    1597, 939.267137,  0.2363,  474207.22,  938.2185,  939,   0, -14,-218, 892,34.0,,O9 S2 ,,C,57,H,47,,,O,9,S,2,,,,,,,,,,,,,,,
    1598, 941.501696,  0.2350,  296509.41,  940.4506,  941,   0, -12,-451, 893,15.0,,N2 O15 ,,C,50,H,73,N,2,O,15,,,,,,,,,,,,,,,,,
    1599, 734.913661,  0.2346,  372534.90,  734.0932,  735,   0,  -8, -93, 894,10.0,,O34 ,*, C,15,H,11,,,O,34,,,,,,,,,,,,,,,,,
    1600, 509.069277,  0.2344,  369996.17,  508.5009,  509,   0,  -9, 499, 895,12.0,,N2 O9 S2 ,,C,21,H,21,N,2,O,9,S,2,,,,,,,,,,,,,,,
    1601,1022.120172,  0.2341,  260006.73, 1020.9790, 1021,   0,  -1,  21, 896,60.0,,N3 O9 ,*, C,68,H,20,N,3,O,9,,,,,,,,,,,,,,,,,
    1602, 567.133426,  0.2340,  732770.20,  566.5002,  567,   0,  -7, 500, 897, 0.0,,,No Hit
    1603, 537.140220,  0.2340,  707932.80,  536.5405,  537,   0,  -9, 459, 898,16.0,,O11 ,*, C,28,H,25,,,O,11,,,,,,,,,,,,,,,,,
    1604,1083.799295,  0.2339,  276349.32, 1082.5893, 1083,   0,  -9, 411, 899,23.0,,O2 S1 ,*, C,76,H,107,,,O,2,S,1,,,,,,,,,,,,,,,
    1605, 843.781636,  0.2337,  232184.63,  842.8396,  843,   0, -11, 160, 900, 3.0,,S2 ,*, C,56,H,107,,,,,S,2,,,,,,,,,,,,,,,
    1606, 705.209601,  0.1902,  594085.33,  704.4223,  705,   0, -10,-422, 901, 6.0,,O22 ,*, C,26,H,41,,,O,22,,,,,,,,,,,,,,,,,
    1607, 719.225249,  0.1545,  585831.72,  718.4223,  719,   0, -10,-422, 901, 6.0,,O22 ,*, C,27,H,43,,,O,22,,,,,,,,,,,,,,,,,
    1608, 747.256592,  0.2336,  585503.68,  746.4223,  747,   0, -10,-422, 901, 6.0,,O22 ,*, C,29,H,47,,,O,22,,,,,,,,,,,,,,,,,
    1609, 753.038353,  0.2318,  434396.08,  752.1976,  753,   0,  -4,-198, 902, 0.0,,,No Hit
    1610, 570.657705,  0.2316,  757137.57,  570.0206,  571,   0,  -4, -21, 903, 0.0,,,No Hit
    1611, 827.223045,  0.1790,  215605.16,  826.2995,  827,   0, -14,-299, 904,46.0,,O4 ,*, C,61,H,31,,,O,4,,,,,,,,,,,,,,,,,
    1612,1093.520302,  0.2314,  159587.54, 1092.2994, 1093,   0, -14,-299, 904,46.0,,O4 ,*, C,80,H,69,,,O,4,,,,,,,,,,,,,,,,,
    1613, 667.187972,  0.2310,  645119.87,  666.4431,  667,   0,  -6,-443, 905,13.0,,O17 ,*, C,30,H,35,,,O,17,,,,,,,,,,,,,,,,,
    1614, 559.621341,  0.2310,  772792.13,  558.9966,  559,   0,  -1,   3, 906, 0.0,,,No Hit
    1615, 511.155437,  0.2309,  806081.24,  510.5848,  511,   0,  -7, 415, 907,13.0,,N2 O2 S3 ,,C,27,H,31,N,2,O,2,S,3,,,,,,,,,,,,,,,
    1616, 559.187946,  0.2305,  682493.67,  558.5636,  559,   0,  -1, 436, 908, 4.0,,O17 ,,C,21,H,35,,,O,17,,,,,,,,,,,,,,,,,
    1617, 821.503918,  0.2305,  591784.49,  820.5867,  821,   0,  -5, 413, 909,12.0,,O3 S3 ,,C,50,H,77,,,O,3,S,3,,,,,,,,,,,,,,,
    1618, 207.051561,  0.2004, 1378299.35,  206.8204,  207,   0,  -3, 180, 910, 0.0,,,No Hit
    1619, 221.067219,  0.2303, 1048764.31,  220.8204,  221,   0,  -3, 180, 910, 0.0,,,No Hit
    1620, 875.277261,  0.2301,  453802.93,  874.3001,  875,   0,  -8,-300, 911,21.0,,O13 S2 ,*, C,46,H,51,,,O,13,S,2,,,,,,,,,,,,,,,
    1621, 867.809171,  0.2299,  187960.68,  866.8403,  867,   0,  -1, 160, 912,27.0,,N3 O26 S3 ,,C,26,H,2,N,3,O,26,S,3,,,,,,,,,,,,,,,
    1622, 534.769747,  0.2297,  481908.55,  534.1727,  535,   0, -12,-173, 913, 0.0,,,No Hit
    1623, 991.327102,  0.2297,  210084.54,  990.2203,  991,   0,  -4,-220, 914, 6.0,,O31 13C2 ,#, C,34,H,61,,,O,31,,,,,13C,2, ,,,,,,,,,,
    1624, 685.198590,  0.2296,  582974.76,  684.4336,  685,   0,  -2,-434, 915,12.0,,O18 ,*, C,30,H,37,,,O,18,,,,,,,,,,,,,,,,,
    1625, 631.200180,  0.2295,  656862.92,  630.4955,  631,   0, -14,-495, 916, 6.0,,O19 13C2 ,#, C,22,H,37,,,O,19,,,,,13C,2, ,,,,,,,,,,
    1626, 867.845804,  0.2283,  419706.37,  866.8769,  867,   0,  -1, 123, 917,26.0,,N3 O25 S3 ,,C,27,H,6,N,3,O,25,S,3,,,,,,,,,,,,,,,
    1627, 579.193081,  0.2281,  717780.32,  578.5464,  579,   0,  -9, 454, 918, 7.0,,O16 ,,C,24,H,35,,,O,16,,,,,,,,,,,,,,,,,
    1628, 777.715960,  0.2280,  557838.45,  776.8477,  777,   0,  -7, 152, 919, 0.0,,,No Hit
    1629, 871.401584,  0.2277,  116922.95,  870.4287,  871,   0, -12,-429, 920,32.0,,O1 S2 ,,C,61,H,59,,,O,1,S,2,,,,,,,,,,,,,,,
    1630, 539.505925,  0.2277,  182814.48,  538.9036,  539,   0,  -7,  96, 921, 0.0,,,No Hit
    1631, 179.071392,  0.2275, 2159874.77,  178.8715,  179,   0,  -3, 129, 922, 5.0,,O3 ,,C,10,H,11,,,O,3,,,,,,,,,,,,,,,,,
    1632, 628.844565,  0.2271,  568110.38,  628.1425,  629,   0,  -2,-142, 923, 0.0,,,No Hit
    1633,1055.642199,  0.2270,  111827.35, 1054.4636, 1055,   0, -10,-464, 924,14.0,,N2 O15 ,,C,58,H,91,N,2,O,15,,,,,,,,,,,,,,,,,
    1634, 759.241350,  0.2266,  590244.25,  758.3937,  759,   0, -12,-394, 925, 3.0,,O25 ,*, C,26,H,47,,,O,25,,,,,,,,,,,,,,,,,
    1635, 693.224816,  0.2258,  580067.04,  692.4509,  693,   0,  -8,-451, 926, 9.0,,O19 ,*, C,29,H,41,,,O,19,,,,,,,,,,,,,,,,,
    1636, 809.248472,  0.2258,  436738.79,  808.3450,  809,   0,  -4,-345, 927,46.0,,O2 ,*, C,62,H,33,,,O,2,,,,,,,,,,,,,,,,,
    1637, 995.860218,  0.2257,  193809.69,  994.7484,  995,   0, -13, 252, 928,34.0,,N1 O32 S1 ,*, C,36,H,6,N,1,O,32,S,1,,,,,,,,,,,,,,,
    1638, 601.124452,  0.2254,  698954.75,  600.4533,  601,   0,  -2,-453, 929, 0.0,,,No Hit
    1639, 229.071771,  0.2253, 1772012.08,  228.8160,  229,   0,  -9, 184, 930, 4.0,,O6 ,,C,10,H,13,,,O,6,,,,,,,,,,,,,,,,,
    1640,1096.103823,  0.2252,  293723.13, 1094.8801, 1095,   0, -11, 120, 931,70.0,,N1 O8 ,*, C,78,H,18,N,1,O,8,,,,,,,,,,,,,,,,,
    1641, 849.251955,  0.2248,  510768.28,  848.3038,  849,   0,  -6,-304, 932, 8.0,,O26 ,*, C,32,H,49,,,O,26,,,,,,,,,,,,,,,,,
    1642, 603.133398,  0.2247,  691929.79,  602.4600,  603,   0, -14,-460, 933, 0.0,,,No Hit
    1643,1037.680902,  0.2246,  325543.52, 1036.5224, 1037,   0, -13, 478, 934,22.0,,N2 O5 S1 ,,C,67,H,93,N,2,O,5,S,1,,,,,,,,,,,,,,,
    1644,1070.158287,  0.2244,  412243.51, 1068.9635, 1069,   0,  -9,  36, 935,71.0,,N1 O1 S1 ,*, C,82,H,24,N,1,O,1,S,1,,,,,,,,,,,,,,,
    1645, 843.783943,  0.2243,  486186.30,  842.8419,  843,   0, -11, 158, 936, 0.0,,,No Hit
    1646, 941.509150,  0.2241,  500625.01,  940.4580,  941,   0, -12,-458, 937,41.0,,HC,*, C,73,H,65,,,,,,,,,,,,,,,,,,,,,
    1647, 181.060377,  0.2239, 2109621.97,  180.8582,  181,   0,  -1, 142, 938, 0.0,,,No Hit
    1648, 972.046351,  0.2237,  301969.38,  970.9611,  971,   0,  -9,  39, 939, 0.0,,O2 ,*, C,67,H,135,,,O,2,,,,,,,,,,,,,,,,,
    1649, 579.334345,  0.2236,  761642.17,  578.6875,  579,   0,  -9, 312, 940, 0.0,,,No Hit
    1650, 635.396910,  0.2035,  600232.10,  634.6875,  635,   0,  -9, 312, 940, 0.0,,,No Hit
    1651, 825.251961,  0.2235,  506599.11,  824.3306,  825,   0,  -2,-331, 941, 6.0,,O26 ,*, C,30,H,49,,,O,26,,,,,,,,,,,,,,,,,
    1652, 753.040374,  0.2234,  567993.23,  752.1996,  753,   0,  -4,-200, 942,50.0,,O6 ,*, C,54,H,9,,,O,6,,,,,,,,,,,,,,,,,
    1653, 525.545576,  0.2234,  488204.77,  524.9588,  525,   0,  -7,  41, 943, 0.0,,,No Hit
    1654, 897.035948,  0.2225,  701128.67,  896.0345,  897,   0, -14, -34, 944,31.0,,N2 O21 S1 ,*, C,40,H,21,N,2,O,21,S,1,,,,,,,,,,,,,,,
    1655, 629.149042,  0.2219,  693991.27,  628.4466,  629,   0,  -2,-447, 945, 0.0,,,No Hit
    1656, 871.392430,  0.2217,  303756.27,  870.4196,  871,   0, -12,-420, 946, 0.0,,,No Hit
    1657, 925.302094,  0.2216,  593545.22,  924.2690,  925,   0, -14,-269, 947,38.0,,O10 ,*, C,60,H,45,,,O,10,,,,,,,,,,,,,,,,,
    1658, 547.179056,  0.2215,  741758.30,  546.5682,  547,   0, -13, 432, 948, 4.0,,O17 13C2 ,#, C,18,H,33,,,O,17,,,,,13C,2, ,,,,,,,,,,
    1659, 618.915603,  0.2215,  379774.58,  618.2246,  619,   0, -12,-225, 949,16.0,,O22 S1 ,*, C,19,H,7,,,O,22,S,1,,,,,,,,,,,,,,,
    1660, 845.268810,  0.2197,  489847.15,  844.3251,  845,   0, -10,-325, 950,35.0,,N2 O6 S1 ,*, C,54,H,41,N,2,O,6,S,1,,,,,,,,,,,,,,,
    1661, 293.086895,  0.2196, 1300375.74,  292.7597,  293,   0,  -1, 240, 951, 0.0,,,No Hit
    1662, 611.140640,  0.2193,  630021.36,  610.4583,  611,   0,  -6,-458, 952,17.0,,O14 ,*, C,30,H,27,,,O,14,,,,,,,,,,,,,,,,,
    1663, 521.126755,  0.2193,  967233.66,  520.5449,  521,   0, -11, 455, 953, 7.0,,N2 O10 S2 ,,C,20,H,29,N,2,O,10,S,2,,,,,,,,,,,,,,,
    1664, 648.911940,  0.2191,  533022.98,  648.1875,  649,   0, -10,-187, 954,38.0,,O8 S2 ,*, C,38,H,1,,,O,8,S,2,,,,,,,,,,,,,,,
    1665, 885.273103,  0.2189,  513681.87,  884.2847,  885,   0, -12,-285, 955, 6.0,,O28 ,*, C,32,H,53,,,O,28,,,,,,,,,,,,,,,,,
    1666, 683.204084,  0.2189,  606942.10,  682.4413,  683,   0,  -4,-441, 956, 8.0,,O20 ,*, C,27,H,39,,,O,20,,,,,,,,,,,,,,,,,
    1667, 789.173738,  0.2185,  463077.60,  788.2927,  789,   0, -10,-293, 957,40.0,,O5 S1 ,*, C,54,H,29,,,O,5,S,1,,,,,,,,,,,,,,,
    1668, 549.171081,  0.2180,  685676.73,  548.5580,  549,   0, -11, 442, 958,15.0,,N2 O2 S3 ,,C,30,H,33,N,2,O,2,S,3,,,,,,,,,,,,,,,
    1669, 779.088402,  0.2177,  364951.30,  778.2186,  779,   0,  -6,-219, 959,46.0,,N2 O7 ,*, C,52,H,15,N,2,O,7,,,,,,,,,,,,,,,,,
    1670, 613.177399,  0.2176,  741802.44,  612.4928,  613,   0,  -4,-493, 960,11.0,,O16 ,*, C,27,H,33,,,O,16,,,,,,,,,,,,,,,,,
    1671, 515.119524,  0.2176,  734344.92,  514.5444,  515,   0,  -3, 456, 961,14.0,,O12 ,*, C,25,H,23,,,O,12,,,,,,,,,,,,,,,,,
    1672,1065.480253,  0.2171,  187673.97, 1064.2907, 1065,   0, -14,-291, 962,32.0,,O7 S2 ,*, C,68,H,73,,,O,7,S,2,,,,,,,,,,,,,,,
    1673, 533.130096,  0.2171,  741812.00,  532.5349,  533,   0, -13, 465, 963,13.0,,O13 ,*, C,25,H,25,,,O,13,,,,,,,,,,,,,,,,,
    1674, 899.288821,  0.2170,  507111.52,  898.2848,  899,   0, -12,-285, 964, 6.0,,O28 ,*, C,33,H,55,,,O,28,,,,,,,,,,,,,,,,,
    1675,1055.622931,  0.2168,  318193.96, 1054.4444, 1055,   0, -10,-444, 965,27.0,,O6 S1 ,*, C,70,H,87,,,O,6,S,1,,,,,,,,,,,,,,,
    1676, 717.208334,  0.2166,  266741.70,  716.4076,  717,   0, -12,-408, 966, 0.0,,,No Hit
    1677, 871.380322,  0.1794,  553498.13,  870.4075,  871,   0, -12,-407, 966, 0.0,,,No Hit
    1678, 821.051055,  0.2163,  381052.74,  820.1344,  821,   0,  -6,-134, 967,48.0,,O10 ,*, C,54,H,13,,,O,10,,,,,,,,,,,,,,,,,
    1679, 266.996256,  0.2162, 1281787.75,  266.6982,  267,   0, -13, 302, 968, 0.0,,,No Hit
    1680,1004.085073,  0.2162,  215844.69, 1002.9641, 1003,   0,  -5,  36, 969,44.0,,N3 O19 ,*, C,53,H,22,N,3,O,19,,,,,,,,,,,,,,,,,
    1681, 972.071384,  0.2158,  177132.09,  970.9861,  971,   0,  -9,  14, 970, 9.0,,N1 O39 ,*, C,25,H,34,N,1,O,39,,,,,,,,,,,,,,,,,
    1682, 925.235137,  0.2155,  455651.37,  924.2022,  925,   0, -14,-202, 971,31.0,,O17 ,*, C,51,H,41,,,O,17,,,,,,,,,,,,,,,,,
    1683,1055.634155,  0.2153,  402262.13, 1054.4556, 1055,   0, -10,-456, 972, 9.0,,O16 S1 ,*, C,56,H,95,,,O,16,S,1,,,,,,,,,,,,,,,
    1684, 827.262439,  0.2150,  523819.07,  826.3388,  827,   0, -14,-339, 973,40.0,,O3 S1 ,*, C,59,H,39,,,O,3,S,1,,,,,,,,,,,,,,,
    1685, 539.498174,  0.2148,  470648.48,  538.8958,  539,   0,  -7, 104, 974, 1.0,,N2 O1 S1 ,,C,33,H,67,N,2,O,1,S,1,,,,,,,,,,,,,,,
    1686, 607.365173,  0.2146,  640500.10,  606.6871,  607,   0,  -9, 313, 975,11.0,,O2 S2 ,,C,38,H,55,,,O,2,S,2,,,,,,,,,,,,,,,
    1687, 517.113999,  0.2124,  775030.56,  516.5367,  517,   0,  -1, 463, 976,18.0,,O10 ,*, C,28,H,21,,,O,10,,,,,,,,,,,,,,,,,
    1688, 531.129665,  0.2146,  747781.70,  530.5367,  531,   0,  -1, 463, 976,18.0,,O10 ,*, C,29,H,23,,,O,10,,,,,,,,,,,,,,,,,
    1689,1087.357315,  0.2144,  414597.20, 1086.1433, 1087,   0,  -6,-143, 977, 8.0,,O33 ,*, C,41,H,67,,,O,33,,,,,,,,,,,,,,,,,
    1690, 843.775811,  0.2140,  452738.26,  842.8338,  843,   0, -11, 166, 978, 0.0,,,No Hit
    1691,1047.187871,  0.2140,  124883.02, 1046.0187, 1047,   0,  -4, -19, 979,54.0,,O6 S2 ,*, C,71,H,35,,,O,6,S,2,,,,,,,,,,,,,,,
    1692,1033.325543,  0.2139,  405903.97, 1032.1719, 1033,   0,  -4,-172, 980,11.0,,O30 ,*, C,41,H,61,,,O,30,,,,,,,,,,,,,,,,,
    1693, 987.260758,  0.2137,  188491.25,  986.1585,  987,   0,  -8,-159, 981,47.0,,O4 S2 ,*, C,68,H,43,,,O,4,S,2,,,,,,,,,,,,,,,
    1694, 567.106070,  0.2132,  768632.61,  566.4729,  567,   0,  -8,-473, 982,30.0,,O3 S1 ,*, C,39,H,19,,,O,3,S,1,,,,,,,,,,,,,,,
    1695, 255.087848,  0.2130, 1558440.46,  254.8031,  255,   0, -11, 197, 983, 0.0,,,No Hit
    1696, 979.836874,  0.2129,  382853.09,  978.7429,  979,   0,  -1, 257, 984, 3.0,,O7 S1 ,*, C,60,H,115,,,O,7,S,1,,,,,,,,,,,,,,,
    1697, 887.278352,  0.2127,  436406.17,  886.2877,  887,   0, -10,-288, 985,10.0,,N2 O25 ,,C,34,H,51,N,2,O,25,,,,,,,,,,,,,,,,,
    1698, 603.124960,  0.2119,  649408.38,  602.4516,  603,   0, -14,-452, 986,32.0,,S2 ,,C,43,H,23,,,,,S,2,,,,,,,,,,,,,,,
    1699, 660.842384,  0.2117,  619310.38,  660.1046,  661,   0, -12,-105, 987, 0.0,,,No Hit
    1700,1047.185939,  0.2114,  124516.52, 1046.0168, 1047,   0,  -4, -17, 988,20.0,,N2 O31 ,*, C,40,H,43,N,2,O,31,,,,,,,,,,,,,,,,,
    1701, 979.883096,  0.2114,  156698.49,  978.7891,  979,   0,  -1, 211, 989,34.0,,N1 O33 ,*, C,36,H,6,N,1,O,33,,,,,,,,,,,,,,,,,
    1702,1039.702270,  0.2113,  316762.47, 1038.5415, 1039,   0, -11, 459, 990,12.0,,N2 O10 S1 ,,C,60,H,99,N,2,O,10,S,1,,,,,,,,,,,,,,,
    1703, 753.035495,  0.2107,  342377.37,  752.1948,  753,   0,  -4,-195, 991,31.0,,O9 S3 ,,C,41,H,21,,,O,9,S,3,,,,,,,,,,,,,,,
    1704,1047.171250,  0.2106,  330934.00, 1046.0021, 1047,   0,  -4,  -2, 992,69.0,,N2 O3 ,*, C,79,H,23,N,2,O,3,,,,,,,,,,,,,,,,,
    1705, 754.950431,  0.2104,  462971.07,  754.1076,  755,   0,  -2,-108, 993,47.0,,O9 S1 ,*, C,48,H,3,,,O,9,S,1,,,,,,,,,,,,,,,
    1706, 897.007278,  0.2102,  174200.08,  896.0058,  897,   0, -14,  -6, 994,58.0,,O7 S1 ,*, C,62,H,9,,,O,7,S,1,,,,,,,,,,,,,,,
    1707,1055.651510,  0.2099,  244679.41, 1054.4729, 1055,   0, -10,-473, 995,27.0,,N2 O7 ,*, C,69,H,87,N,2,O,7,,,,,,,,,,,,,,,,,
    1708, 972.043123,  0.1562,  217695.57,  970.9579,  971,   0,  -9,  42, 996,53.0,,N1 O9 S2 ,*, C,61,H,18,N,1,O,9,S,2,,,,,,,,,,,,,,,
    1709,1070.152777,  0.2098,  321029.28, 1068.9580, 1069,   0,  -9,  42, 996,53.0,,N1 O9 S2 ,*, C,68,H,32,N,1,O,9,S,2,,,,,,,,,,,,,,,
    1710, 979.880324,  0.2097,  268221.26,  978.7863,  979,   0,  -1, 214, 997,38.0,,N1 O28 S1 ,*, C,40,H,6,N,1,O,28,S,1,,,,,,,,,,,,,,,
    1711, 537.161356,  0.2096,  694047.52,  536.5616,  537,   0,  -9, 438, 998,11.0,,O13 ,*, C,25,H,29,,,O,13,,,,,,,,,,,,,,,,,
    1712, 789.166415,  0.2093,  460715.15,  788.2853,  789,   0, -10,-285, 999,41.0,,N2 O7 ,*, C,52,H,25,N,2,O,7,,,,,,,,,,,,,,,,,
    1713, 771.220243,  0.2091,  556189.25,  770.3592,  771,   0, -14,-359,1000, 9.0,,O23 ,*, C,30,H,43,,,O,23,,,,,,,,,,,,,,,,,
    1714, 893.221298,  0.2089,  161363.66,  892.2241,  893,   0,  -4,-224,1001,40.0,,O8 S1 ,*, C,58,H,37,,,O,8,S,1,,,,,,,,,,,,,,,
    1715,1089.219653,  0.2087,  345537.90, 1088.0036, 1089,   0,  -4,  -4,1002,50.0,,O9 S2 ,*, C,70,H,41,,,O,9,S,2,,,,,,,,,,,,,,,
    1716, 893.276278,  0.2087,  439025.62,  892.2790,  893,   0,  -4,-279,1003,38.0,,O4 S2 ,*, C,60,H,45,,,O,4,S,2,,,,,,,,,,,,,,,
    1717, 187.040088,  0.2080, 2149644.31,  186.8313,  187,   0,  -9, 169,1004, 8.0,,O3 ,,C,11,H,7,,,O,3,,,,,,,,,,,,,,,,,
    1718, 201.055733,  0.2086, 2005094.21,  200.8313,  201,   0,  -9, 169,1004, 8.0,,O3 ,,C,12,H,9,,,O,3,,,,,,,,,,,,,,,,,
    1719, 229.087007,  0.1100, 1833587.12,  228.8312,  229,   0,  -9, 169,1004, 8.0,,O3 ,,C,14,H,13,,,O,3,,,,,,,,,,,,,,,,,
    1720, 561.182470,  0.2085,  676771.71,  560.5559,  561,   0, -13, 444,1005, 8.0,,O15 ,,C,24,H,33,,,O,15,,,,,,,,,,,,,,,,,
    1721,1070.137370,  0.2084,  386896.41, 1068.9426, 1069,   0,  -9,  57,1006,49.0,,N1 O12 S2 ,*, C,64,H,32,N,1,O,12,S,2,,,,,,,,,,,,,,,
    1722, 509.071454,  0.2084,  391718.35,  508.5031,  509,   0,  -9, 497,1007, 0.0,,,No Hit
    1723,1079.352532,  0.2084,  374533.36, 1078.1475, 1079,   0, -14,-147,1008,59.0,,O3 ,*, C,82,H,47,,,O,3,,,,,,,,,,,,,,,,,
    1724, 763.621511,  0.2082,  176176.52,  762.7690,  763,   0,  -7, 231,1009, 4.0,,N2 O2 S2 ,,C,46,H,87,N,2,O,2,S,2,,,,,,,,,,,,,,,
    1725, 707.204157,  0.2080,  805818.08,  706.4146,  707,   0,  -8,-415,1010,10.0,,O20 ,*, C,29,H,39,,,O,20,,,,,,,,,,,,,,,,,
    1726, 199.214642,  0.2080, 1386172.96,  198.9922,  199,   0, -11,   8,1011, 0.0,,,No Hit
    1727, 265.147190,  0.2078, 1312261.95,  264.8512,  265,   0,  -1, 149,1012, 0.0,,,No Hit
    1728, 249.077929,  0.2078, 1592655.76,  248.7998,  249,   0,  -3, 200,1013, 0.0,,,No Hit
    1729,1070.096947,  0.2076,   75740.08, 1068.9022, 1069,   0,  -9,  98,1014,55.0,,N1 O13 S1 ,*, C,66,H,24,N,1,O,13,S,1,,,,,,,,,,,,,,,
    1730, 963.283823,  0.2007,  453169.56,  962.2084,  963,   0,  -4,-208,1015,10.0,,O29 ,*, C,37,H,55,,,O,29,,,,,,,,,,,,,,,,,
    1731, 977.299464,  0.2076,  452477.19,  976.2084,  977,   0,  -4,-208,1015,10.0,,O29 ,*, C,38,H,57,,,O,29,,,,,,,,,,,,,,,,,
    1732, 843.792689,  0.2072,  456029.31,  842.8506,  843,   0, -11, 149,1016, 4.0,,N2 O4 ,,C,54,H,103,N,2,O,4,,,,,,,,,,,,,,,,,
    1733, 283.263738,  0.2071,  149116.07,  282.9475,  283,   0, -11,  53,1017, 0.0,,,No Hit
    1734, 635.392555,  0.2066,  394583.40,  634.6832,  635,   0,  -9, 317,1018,16.0,,O2 S1 ,,C,43,H,55,,,O,2,S,1,,,,,,,,,,,,,,,
    1735, 805.250612,  0.2064,  251494.93,  804.3516,  805,   0,  -8,-352,1019,15.0,,N2 O11 S3 ,,C,38,H,49,N,2,O,11,S,3,,,,,,,,,,,,,,,
    1736, 646.825536,  0.2063,  335083.27,  646.1034,  647,   0, -12,-103,1020,10.0,,O28 S2 ,,C,11,H,3,,,O,28,S,2,,,,,,,,,,,,,,,
    1737, 793.262146,  0.2061,  580839.15,  792.3765,  793,   0,  -6,-377,1021, 6.0,,O24 ,*, C,30,H,49,,,O,24,,,,,,,,,,,,,,,,,
    1738, 283.264877,  0.2059,  149066.68,  282.9486,  283,   0, -11,  51,1022, 0.0,,,No Hit
    1739,1004.071129,  0.2052,  218391.50, 1002.9501, 1003,   0,  -5,  50,1023,48.0,,N1 O15 S1 ,*, C,58,H,22,N,1,O,15,S,1,,,,,,,,,,,,,,,
    1740, 170.554536,  0.2051, 2088620.55,  170.3641,  171,   0, -12,-364,1024, 0.0,,,No Hit
    1741, 599.140629,  0.1940,  423842.38,  598.4717,  599,   0,  -4,-472,1025,16.0,,O14 ,*, C,29,H,27,,,O,14,,,,,,,,,,,,,,,,,
    1742, 613.156326,  0.2048,  678638.97,  612.4718,  613,   0,  -4,-472,1025,16.0,,O14 ,*, C,30,H,29,,,O,14,,,,,,,,,,,,,,,,,
    1743,1051.691883,  0.2046,   95145.71, 1050.5177, 1051,   0, -13, 482,1026,13.0,,O11 S1 ,*, C,62,H,99,,,O,11,S,1,,,,,,,,,,,,,,,
    1744,1037.653320,  0.2044,  330988.92, 1036.4948, 1037,   0, -14,-495,1027,10.0,,N2 O16 ,,C,55,H,93,N,2,O,16,,,,,,,,,,,,,,,,,
    1745, 789.613765,  0.2044,  562751.52,  788.7322,  789,   0,  -9, 268,1028, 0.0,,,No Hit
    1746, 699.124367,  0.2039,  613760.16,  698.3438,  699,   0,  -2,-344,1029,40.0,,S2 ,*, C,51,H,23,,,,,S,2,,,,,,,,,,,,,,,
    1747,1065.452455,  0.2036,  224627.34, 1064.2629, 1065,   0, -14,-263,1030,47.0,,O5 ,*, C,77,H,61,,,O,5,,,,,,,,,,,,,,,,,
    1748, 754.967619,  0.2033,  485483.63,  754.1247,  755,   0,  -2,-125,1031,20.0,,O24 S1 ,*, C,27,H,15,,,O,24,S,1,,,,,,,,,,,,,,,
    1749, 781.219756,  0.2033,  603068.48,  780.3476,  781,   0,  -4,-348,1032,15.0,,O20 ,*, C,35,H,41,,,O,20,,,,,,,,,,,,,,,,,
    1750, 867.423488,  0.2031,  501898.79,  866.4551,  867,   0,  -2,-455,1033, 7.0,,O20 ,*, C,40,H,67,,,O,20,,,,,,,,,,,,,,,,,
    1751, 741.214073,  0.2028,  548609.36,  740.3865,  741,   0,  -2,-387,1034,30.0,,O4 S2 ,*, C,48,H,37,,,O,4,S,2,,,,,,,,,,,,,,,
    1752, 701.184904,  0.2026,  622330.72,  700.4021,  701,   0, -14,-402,1035,25.0,,O9 S1 ,,C,41,H,33,,,O,9,S,1,,,,,,,,,,,,,,,
    1753, 221.067306,  0.2018,  998234.87,  220.8205,  221,   0,  -3, 180,1036, 0.0,,,No Hit
    1754, 617.151222,  0.1992,  703876.18,  616.4622,  617,   0, -14,-462,1037,15.0,,O15 ,*, C,29,H,29,,,O,15,,,,,,,,,,,,,,,,,
    1755, 631.166822,  0.2015,  690065.10,  630.4622,  631,   0, -14,-462,1037,15.0,,O15 ,*, C,30,H,31,,,O,15,,,,,,,,,,,,,,,,,
    1756,1070.128379,  0.2012,  165383.36, 1068.9336, 1069,   0,  -9,  66,1038,63.0,,N1 O7 S1 ,*, C,74,H,24,N,1,O,7,S,1,,,,,,,,,,,,,,,
    1757, 723.703966,  0.2002,  253265.50,  722.8960,  723,   0,  -5, 104,1039, 0.0,,,No Hit
    1758, 979.332261,  0.2001,  182035.46,  978.2389,  979,   0,  -2,-239,1040, 0.0,,N2 O33 ,*, C,30,H,63,N,2,O,33,,,,,,,,,,,,,,,,,
    1759, 763.623473,  0.1999,  174495.86,  762.7709,  763,   0,  -7, 229,1041, 0.0,,,No Hit
    1760,1029.448459,  0.1995,  302317.51, 1028.2991, 1029,   0,  -8,-299,1042,22.0,,O18 ,*, C,56,H,69,,,O,18,,,,,,,,,,,,,,,,,
    1761, 225.061139,  0.1994, 1322255.30,  224.8099,  225,   0, -13, 190,1043, 0.0,,,No Hit
    1762, 761.235881,  0.1991,  598038.52,  760.3860,  761,   0, -10,-386,1044, 7.0,,O23 ,*, C,29,H,45,,,O,23,,,,,,,,,,,,,,,,,
    1763, 897.027990,  0.1990,  361806.36,  896.0265,  897,   0, -14, -27,1045,27.0,,O27 ,*, C,37,H,21,,,O,27,,,,,,,,,,,,,,,,,
    1764, 735.199011,  0.1990,  629469.44,  734.3782,  735,   0,  -8,-378,1046,11.0,,O21 ,*, C,30,H,39,,,O,21,,,,,,,,,,,,,,,,,
    1765, 593.167816,  0.1981,  729660.60,  592.5056,  593,   0,  -9, 494,1047, 0.0,,,No Hit
    1766,1037.709696,  0.1979,  324039.73, 1036.5511, 1037,   0, -13, 449,1048,16.0,,O5 S2 ,,C,66,H,101,,,O,5,S,2,,,,,,,,,,,,,,,
    1767,1003.552612,  0.1971,  275485.29, 1002.4322, 1003,   0,  -6,-432,1049,30.0,,O2 S2 ,*, C,69,H,79,,,O,2,S,2,,,,,,,,,,,,,,,
    1768, 734.926304,  0.1971,  485874.90,  734.1058,  735,   0,  -8,-106,1050,18.0,,O26 S1 ,*, C,23,H,11,,,O,26,S,1,,,,,,,,,,,,,,,
    1769, 603.205282,  0.1966,  643613.21,  602.5318,  603,   0, -13, 468,1051, 5.0,,O18 13C2 ,#, C,21,H,37,,,O,18,,,,,13C,2, ,,,,,,,,,,
    1770, 843.795862,  0.1965,  473636.70,  842.8538,  843,   0, -11, 146,1052, 0.0,,,No Hit
    1771, 913.318333,  0.1962,  238038.85,  912.2987,  913,   0, -12,-299,1053,40.0,,O2 S2 ,*, C,64,H,49,,,O,2,S,2,,,,,,,,,,,,,,,
    1772,1051.668131,  0.1961,  246092.42, 1050.4940, 1051,   0, -14,-494,1054,22.0,,O4 S2 ,,C,69,H,95,,,O,4,S,2,,,,,,,,,,,,,,,
    1773, 871.406510,  0.1957,  547657.90,  870.4336,  871,   0, -12,-434,1055,24.0,,O11 ,*, C,53,H,59,,,O,11,,,,,,,,,,,,,,,,,
    1774, 675.494516,  0.1956,  521109.05,  674.7404,  675,   0, -11, 260,1056, 0.0,,,No Hit
    1775, 581.130081,  0.1956,  681953.63,  580.4813,  581,   0,  -8,-481,1057,17.0,,O13 ,*, C,29,H,25,,,O,13,,,,,,,,,,,,,,,,,
    1776, 754.978058,  0.1954,  378398.67,  754.1352,  755,   0,  -2,-135,1058,32.0,,O11 S3 ,*, C,39,H,15,,,O,11,S,3,,,,,,,,,,,,,,,
    1777, 953.310607,  0.1951,  430254.62,  952.2463,  953,   0, -14,-246,1059, 8.0,,N2 O28 ,,C,35,H,57,N,2,O,28,,,,,,,,,,,,,,,,,
    1778, 927.190775,  0.1951,  152690.17,  926.1556,  927,   0, -12,-156,1060,40.0,,O11 S1 ,*, C,57,H,35,,,O,11,S,1,,,,,,,,,,,,,,,
    1779, 789.178959,  0.1951,  333692.46,  788.2979,  789,   0, -10,-298,1061, 5.0,,O28 ,*, C,25,H,41,,,O,28,,,,,,,,,,,,,,,,,
    1780, 867.797418,  0.1948,  363558.51,  866.8286,  867,   0,  -1, 171,1062, 0.0,,,No Hit
    1781,1096.098284,  0.1946,  256652.40, 1094.8745, 1095,   0, -11, 125,1063,79.0,,N1 O3 ,*, C,85,H,14,N,1,O,3,,,,,,,,,,,,,,,,,
    1782, 579.173541,  0.1945,  782490.78,  578.5269,  579,   0,  -9, 473,1064, 0.0,,,No Hit
    1783, 719.329966,  0.1696,  197456.78,  718.5269,  719,   0,  -9, 473,1064, 0.0,,,No Hit
    1784, 927.193980,  0.1944,  152511.12,  926.1588,  927,   0, -12,-159,1065,35.0,,O11 S2 ,*, C,54,H,39,,,O,11,S,2,,,,,,,,,,,,,,,
    1785, 589.022792,  0.1942,  263180.50,  588.3652,  589,   0, -14,-365,1066,17.0,,N2 O12 S2 ,,C,24,H,17,N,2,O,12,S,2,,,,,,,,,,,,,,,
    1786, 251.055497,  0.1941, 1297351.16,  250.7752,  251,   0,  -1, 225,1067, 0.0,,,No Hit
    1787, 221.066248,  0.1941, 1503712.84,  220.8194,  221,   0,  -3, 181,1068, 0.0,,,No Hit
    1788,1022.132594,  0.1941,  271259.28, 1020.9914, 1021,   0,  -1,   9,1069,24.0,,N1 O30 ,*, C,41,H,36,N,1,O,30,,,,,,,,,,,,,,,,,
    1789, 793.250716,  0.1940,  467832.79,  792.3651,  793,   0,  -6,-365,1070,23.0,,O9 S2 ,*, C,45,H,45,,,O,9,S,2,,,,,,,,,,,,,,,
    1790, 951.283709,  0.1938,  453462.94,  950.2216,  951,   0,  -2,-222,1071, 9.0,,O29 ,*, C,36,H,55,,,O,29,,,,,,,,,,,,,,,,,
    1791,1003.524323,  0.1932,  370181.73, 1002.4039, 1003,   0,  -6,-404,1072,18.0,,O13 S1 ,*, C,57,H,79,,,O,13,S,1,,,,,,,,,,,,,,,
    1792, 859.119816,  0.1929,  194103.57,  858.1606,  859,   0, -10,-161,1073,52.0,,O1 S2 ,*, C,63,H,23,,,O,1,S,2,,,,,,,,,,,,,,,
    1793, 883.251957,  0.1929,  421490.49,  882.2658,  883,   0, -14,-266,1074,42.0,,O5 S1 ,*, C,61,H,39,,,O,5,S,1,,,,,,,,,,,,,,,
    1794, 871.395226,  0.1926,  485570.86,  870.4224,  871,   0, -12,-422,1075,14.0,,O9 S3 ,,C,47,H,67,,,O,9,S,3,,,,,,,,,,,,,,,
    1795,1070.144215,  0.1926,  139789.60, 1068.9495, 1069,   0,  -9,  51,1076,10.0,,N1 O40 ,*, C,31,H,44,N,1,O,40,,,,,,,,,,,,,,,,,
    1796, 695.146218,  0.1925,  393283.19,  694.3701,  695,   0,  -6,-370,1077,15.0,,O19 ,*, C,30,H,31,,,O,19,,,,,,,,,,,,,,,,,
    1797, 564.795111,  0.1919,  400314.44,  564.1645,  565,   0, -10,-165,1078, 0.0,,,No Hit
    1798, 991.324595,  0.1915,  197750.87,  990.2178,  991,   0,  -4,-218,1079,37.0,,O13 13C2 ,#, C,59,H,49,,,O,13,,,,,13C,2, ,,,,,,,,,,
    1799, 754.963677,  0.1915,  503647.01,  754.1208,  755,   0,  -2,-121,1080,16.0,,N2 O26 S1 ,,C,22,H,15,N,2,O,26,S,1,,,,,,,,,,,,,,,
    1800, 217.071771,  0.1915, 1812660.62,  216.8294,  217,   0,  -7, 171,1081, 3.0,,O6 ,,C,9,H,13,,,O,6,,,,,,,,,,,,,,,,,
    1801, 717.630219,  0.1913,  600267.26,  716.8290,  717,   0, -11, 171,1082, 9.0,,N2 O2 ,,C,48,H,81,N,2,O,2,,,,,,,,,,,,,,,,,
    1802,1089.276893,  0.1912,  146358.11, 1088.0608, 1089,   0,  -4, -61,1083,45.0,,O15 ,*, C,67,H,45,,,O,15,,,,,,,,,,,,,,,,,
    1803,1051.695018,  0.1910,   93622.05, 1050.5209, 1051,   0, -13, 479,1084, 8.0,,O11 S2 ,,C,59,H,103,,,O,11,S,2,,,,,,,,,,,,,,,
    1804, 843.788822,  0.1909,  288292.11,  842.8468,  843,   0, -11, 153,1085,12.0,,N1 O35 S3 ,,C,14,H,6,N,1,O,35,S,3,,,,,,,,,,,,,,,
    1805, 629.191373,  0.1907,  679519.38,  628.4889,  629,   0,  -2,-489,1086,37.0,,O1 ,,C,49,H,25,,,O,1,,,,,,,,,,,,,,,,,
    1806,1096.150579,  0.1905,   98052.56, 1094.9268, 1095,   0, -11,  73,1087, 6.0,,HC,*, C,79,H,147,,,,,,,,,,,,,,,,,,,,,
    1807, 799.504673,  0.1903,  375080.43,  798.6121,  799,   0, -13, 388,1088, 5.0,,O6 S3 ,,C,44,H,79,,,O,6,S,3,,,,,,,,,,,,,,,
    1808, 859.103062,  0.1903,  279918.09,  858.1439,  859,   0, -10,-144,1089,49.0,,O9 ,*, C,58,H,19,,,O,9,,,,,,,,,,,,,,,,,
    1809, 893.242611,  0.1902,  322488.24,  892.2453,  893,   0,  -4,-245,1090,35.0,,O10 S1 ,*, C,55,H,41,,,O,10,S,1,,,,,,,,,,,,,,,
    1810, 179.055720,  0.1901, 2352651.95,  178.8558,  179,   0,  -3, 144,1091, 0.0,,,No Hit
    1811,1051.680702,  0.1900,  349351.65, 1050.5066, 1051,   0, -13, 493,1092, 0.0,,,No Hit
    1812, 580.944975,  0.1900,  509483.81,  580.2964,  581,   0,  -8,-296,1093,17.0,,N2 O15 S2 ,,C,20,H,9,N,2,O,15,S,2,,,,,,,,,,,,,,,
    1813, 805.231940,  0.1895,  619889.50,  804.3329,  805,   0,  -8,-333,1094,43.0,,N2 O1 S1 ,*, C,58,H,33,N,2,O,1,S,1,,,,,,,,,,,,,,,
    1814, 799.533299,  0.1894,  131713.19,  798.6407,  799,   0, -13, 359,1095, 5.0,,N2 O7 S2 ,,C,43,H,79,N,2,O,7,S,2,,,,,,,,,,,,,,,
    1815, 255.087414,  0.1893, 1635883.20,  254.8026,  255,   0, -11, 197,1096, 5.0,,O6 ,,C,12,H,15,,,O,6,,,,,,,,,,,,,,,,,
    1816, 707.222065,  0.1892,  124056.81,  706.4325,  707,   0,  -8,-432,1097,27.0,,N2 O6 S1 ,*, C,43,H,35,N,2,O,6,S,1,,,,,,,,,,,,,,,
    1817, 907.291551,  0.1891,  647124.14,  906.2786,  907,   0,  -4,-279,1098,39.0,,O9 ,*, C,60,H,43,,,O,9,,,,,,,,,,,,,,,,,
    1818, 753.045867,  0.1891,  499709.25,  752.2051,  753,   0,  -4,-205,1099,14.0,,O24 S1 ,*, C,26,H,25,,,O,24,S,1,,,,,,,,,,,,,,,
    1819, 783.220252,  0.1890,  527177.19,  782.3458,  783,   0,  -2,-346,1100,10.0,,O23 ,*, C,31,H,43,,,O,23,,,,,,,,,,,,,,,,,
    1820, 641.193471,  0.1890,  610455.24,  640.4776,  641,   0,  -4,-478,1101, 7.0,,O19 ,,C,25,H,37,,,O,19,,,,,,,,,,,,,,,,,
    1821, 867.828603,  0.1889,  278379.32,  866.8597,  867,   0,  -1, 140,1102, 5.0,,N2 O3 ,*, C,57,H,107,N,2,O,3,,,,,,,,,,,,,,,,,
    1822, 675.492796,  0.1886,  272092.39,  674.7386,  675,   0, -11, 261,1103,11.0,,N2 O2 S1 ,,C,43,H,67,N,2,O,2,S,1,,,,,,,,,,,,,,,
    1823, 225.061795,  0.1882, 2588321.01,  224.8105,  225,   0, -13, 189,1104, 0.0,,,No Hit
    1824, 754.955939,  0.1881,  468005.74,  754.1131,  755,   0,  -2,-113,1105,38.0,,O14 S1 ,*, C,41,H,7,,,O,14,S,1,,,,,,,,,,,,,,,
    1825, 646.821760,  0.1880,  569058.06,  646.0996,  647,   0, -12,-100,1106, 6.0,,N2 O30 S2 ,,C,6,H,3,N,2,O,30,S,2,,,,,,,,,,,,,,,
    1826, 763.651101,  0.1877,  192564.56,  762.7985,  763,   0,  -7, 201,1107,13.0,,N2 O1 ,,C,53,H,83,N,2,O,1,,,,,,,,,,,,,,,,,
    1827, 797.235812,  0.1877,  484051.73,  796.3457,  797,   0,  -2,-346,1108,10.0,,O23 ,*, C,32,H,45,,,O,23,,,,,,,,,,,,,,,,,
    1828, 687.684177,  0.1876,  680697.30,  686.9164,  687,   0, -13,  84,1109, 0.0,,,No Hit
    1829, 867.747756,  0.1875,  543192.83,  866.7790,  867,   0,  -1, 221,1110, 2.0,,O6 S1 ,,C,53,H,103,,,O,6,S,1,,,,,,,,,,,,,,,
    1830,1033.858378,  0.1865,  209243.52, 1032.7041, 1033,   0,  -3, 296,1111, 5.0,,N2 O7 S1 ,,C,62,H,117,N,2,O,7,S,1,,,,,,,,,,,,,,,
    1831, 635.161797,  0.1864,  651922.07,  634.4527,  635,   0, -10,-453,1112,14.0,,O16 ,*, C,29,H,31,,,O,16,,,,,,,,,,,,,,,,,
    1832, 295.101062,  0.1861, 1055692.82,  294.7716,  295,   0, -13, 228,1113, 6.0,,O4 S1 ,,C,15,H,19,,,O,4,S,1,,,,,,,,,,,,,,,
    1833, 225.062241,  0.1860,  894945.51,  224.8110,  225,   0, -13, 189,1114, 0.0,,,No Hit
    1834, 215.071382,  0.1858, 2016758.17,  214.8313,  215,   0,  -9, 169,1115, 8.0,,O3 ,,C,13,H,11,,,O,3,,,,,,,,,,,,,,,,,
    1835,1070.131542,  0.1854,  519391.51, 1068.9368, 1069,   0,  -9,  63,1116, 1.0,,N2 O2 ,*, C,72,H,145,N,2,O,2,,,,,,,,,,,,,,,,,
    1836, 859.123105,  0.1853,  304152.97,  858.1639,  859,   0, -10,-164,1117, 9.0,,N2 O31 ,*, C,25,H,35,N,2,O,31,,,,,,,,,,,,,,,,,
    1837, 987.269099,  0.1850,  446206.68,  986.1669,  987,   0,  -8,-167,1118,61.0,,O1 ,*, C,78,H,35,,,O,1,,,,,,,,,,,,,,,,,
    1838, 821.527838,  0.1850,  156297.93,  820.6106,  821,   0,  -5, 389,1119, 3.0,,O10 S2 ,,C,43,H,81,,,O,10,S,2,,,,,,,,,,,,,,,
    1839,1031.328262,  0.1848,  498670.11, 1030.1768, 1031,   0,  -6,-177,1120,38.0,,O14 ,*, C,63,H,51,,,O,14,,,,,,,,,,,,,,,,,
    1840, 199.209240,  0.1188, 1151215.46,  198.9868,  199,   0, -11,  13,1121, 0.0,,,No Hit
    1841, 942.038737,  0.1846,  185426.31,  940.9870,  941,   0, -11,  13,1121, 0.0,,,No Hit
    1842, 953.097193,  0.1845,  285187.18,  952.0331,  953,   0, -14, -33,1122,71.0,,O1 ,*, C,77,H,13,,,O,1,,,,,,,,,,,,,,,,,
    1843,1083.770995,  0.1841,   94554.79, 1082.5610, 1083,   0,  -9, 439,1123,29.0,,N2 O2 ,*, C,77,H,99,N,2,O,2,,,,,,,,,,,,,,,,,
    1844, 695.213779,  0.1841,  604982.98,  694.4376,  695,   0,  -6,-438,1124,12.0,,N2 O9 S3 ,,C,32,H,43,N,2,O,9,S,3,,,,,,,,,,,,,,,
    1845,1003.558219,  0.1690,  452888.94, 1002.4378, 1003,   0,  -6,-438,1124,12.0,,N2 O9 S3 ,,C,54,H,87,N,2,O,9,S,3,,,,,,,,,,,,,,,
    1846, 649.177482,  0.1839,  645398.14,  648.4527,  649,   0, -10,-453,1125,14.0,,O16 ,*, C,30,H,33,,,O,16,,,,,,,,,,,,,,,,,
    1847, 665.170215,  0.1838,  463182.38,  664.4276,  665,   0,  -8,-428,1126, 0.0,,,No Hit
    1848,1037.674544,  0.1837,  480207.44, 1036.5160, 1037,   0, -13, 484,1127, 5.0,,N2 O18 ,*, C,52,H,97,N,2,O,18,,,,,,,,,,,,,,,,,
    1849, 590.855873,  0.1836,  443638.02,  590.1962,  591,   0, -12,-196,1128, 0.0,,,No Hit
    1850, 805.226048,  0.1835,  245523.67,  804.3271,  805,   0,  -8,-327,1129, 7.0,,O20 S2 ,*, C,31,H,49,,,O,20,S,2,,,,,,,,,,,,,,,
    1851,1005.189842,  0.1835,  351891.39, 1004.0676, 1005,   0,  -4, -68,1130,62.0,,O2 S1 ,*, C,76,H,29,,,O,2,S,1,,,,,,,,,,,,,,,
    1852, 935.339864,  0.1834,  420424.47,  934.2956,  935,   0,  -4,-296,1131,12.0,,O24 ,*, C,41,H,59,,,O,24,,,,,,,,,,,,,,,,,
    1853, 935.310181,  0.1831,  478176.33,  934.2660,  935,   0,  -4,-266,1132, 3.0,,O25 S2 ,*, C,34,H,63,,,O,25,S,2,,,,,,,,,,,,,,,
    1854,1093.488033,  0.1830,  427236.39, 1092.2672, 1093,   0, -14,-267,1133, 3.0,,N2 O30 ,*, C,42,H,81,N,2,O,30,,,,,,,,,,,,,,,,,
    1855,1037.698485,  0.1829,  342257.72, 1036.5399, 1037,   0, -13, 460,1134,22.0,,N2 O7 ,,C,67,H,93,N,2,O,7,,,,,,,,,,,,,,,,,
    1856, 152.385797,  0.1827, 2422340.03,  152.2157,  153,   0,  -2,-216,1135, 0.0,,,No Hit
    1857, 897.032657,  0.1827,  331197.16,  896.0312,  897,   0, -14, -31,1136,36.0,,N2 O21 ,*, C,43,H,17,N,2,O,21,,,,,,,,,,,,,,,,,
    1858, 594.776993,  0.1824,  500172.08,  594.1130,  595,   0,  -8,-113,1137, 0.0,,,No Hit
    1859, 683.146350,  0.1822,  496042.41,  682.3836,  683,   0,  -4,-384,1138,14.0,,O19 ,,C,29,H,31,,,O,19,,,,,,,,,,,,,,,,,
    1860, 683.428004,  0.1822,  197711.78,  682.6650,  683,   0,  -3, 335,1139,11.0,,N2 O8 ,,C,39,H,59,N,2,O,8,,,,,,,,,,,,,,,,,
    1861, 703.209079,  0.1822,  468121.02,  702.4240,  703,   0, -12,-424,1140,11.0,,O19 ,*, C,30,H,39,,,O,19,,,,,,,,,,,,,,,,,
    1862, 679.266148,  0.1822,  439604.42,  678.5078,  679,   0,  -7, 492,1141,21.0,,N2 O9 ,,C,39,H,39,N,2,O,9,,,,,,,,,,,,,,,,,
    1863, 647.034381,  0.1820,  666106.59,  646.3120,  647,   0, -12,-312,1142,36.0,,N2 O6 S1 ,*, C,40,H,11,N,2,O,6,S,1,,,,,,,,,,,,,,,
    1864, 963.830401,  0.1820,  367075.34,  962.7543,  963,   0,  -3, 246,1143,30.0,,N3 O28 S3 ,,C,31,H,6,N,3,O,28,S,3,,,,,,,,,,,,,,,
    1865,1047.811207,  0.1818,  429179.25, 1046.6414, 1047,   0,  -3, 359,1144, 2.0,,O12 S1 ,*, C,59,H,115,,,O,12,S,1,,,,,,,,,,,,,,,
    1866, 873.263043,  0.1814,  464099.90,  872.2881,  873,   0, -10,-288,1145,10.0,,N2 O25 ,,C,33,H,49,N,2,O,25,,,,,,,,,,,,,,,,,
    1867, 949.376025,  0.1812,  238885.77,  948.3161,  949,   0,  -4,-316,1146,25.0,,N2 O15 ,,C,52,H,57,N,2,O,15,,,,,,,,,,,,,,,,,
    1868, 789.611542,  0.1811,  312487.68,  788.7300,  789,   0,  -9, 270,1147, 0.0,,,No Hit
    1869, 799.531218,  0.1809,  130654.77,  798.6386,  799,   0, -13, 361,1148,18.0,,S2 ,*, C,55,H,75,,,,,S,2,,,,,,,,,,,,,,,
    1870, 979.316595,  0.1809,  203696.06,  978.2232,  979,   0,  -2,-223,1149,34.0,,O6 S3 ,,C,61,H,55,,,O,6,S,3,,,,,,,,,,,,,,,
    1871,1065.457867,  0.1808,  433867.22, 1064.2683, 1065,   0, -14,-268,1150,38.0,,O10 ,*, C,70,H,65,,,O,10,,,,,,,,,,,,,,,,,
    1872, 979.887201,  0.1806,  149954.60,  978.7932,  979,   0,  -1, 207,1151,55.0,,N1 O15 S2 ,*, C,55,H,2,N,1,O,15,S,2,,,,,,,,,,,,,,,
    1873, 889.292967,  0.1806,  201267.53,  888.3001,  889,   0,  -8,-300,1152,36.0,,O10 13C2 ,#, C,55,H,43,,,O,10,,,,,13C,2, ,,,,,,,,,,
    1874,1009.337941,  0.1805,  211484.27, 1008.2111, 1009,   0, -14,-211,1153, 5.0,,O32 13C2 ,#, C,34,H,63,,,O,32,,,,,13C,2, ,,,,,,,,,,
    1875, 739.230382,  0.1805,  553773.44,  738.4051,  739,   0,  -4,-405,1154, 9.0,,O21 ,*, C,30,H,43,,,O,21,,,,,,,,,,,,,,,,,
    1876, 239.077809,  0.1804, 2043884.33,  238.8109,  239,   0, -13, 189,1155, 0.0,,,No Hit
    1877, 763.209312,  0.1802,  568976.71,  762.3572,  763,   0,  -8,-357,1156,16.0,,O19 ,*, C,35,H,39,,,O,19,,,,,,,,,,,,,,,,,
    1878,1029.502732,  0.1802,  372372.70, 1028.3533, 1029,   0,  -8,-353,1157,12.0,,N2 O21 ,,C,49,H,77,N,2,O,21,,,,,,,,,,,,,,,,,
    1879,1029.469950,  0.1801,  513905.36, 1028.3206, 1029,   0,  -8,-321,1158,17.0,,O20 ,*, C,53,H,73,,,O,20,,,,,,,,,,,,,,,,,
    1880,1089.273320,  0.1800,  144145.07, 1088.0572, 1089,   0,  -4, -57,1159,23.0,,O28 ,*, C,49,H,53,,,O,28,,,,,,,,,,,,,,,,,
    1881, 995.866687,  0.1799,   81328.92,  994.7548,  995,   0, -13, 245,1160,51.0,,N1 O19 S2 ,*, C,51,H,2,N,1,O,19,S,2,,,,,,,,,,,,,,,
    1882, 559.305290,  0.1798,  485021.45,  558.6809,  559,   0,  -1, 319,1161, 0.0,,,No Hit
    1883, 975.790079,  0.1797,  432941.18,  974.7007,  975,   0,  -5, 299,1162, 1.0,,O10 S1 ,,C,56,H,111,,,O,10,S,1,,,,,,,,,,,,,,,
    1884, 663.018773,  0.1795,  670616.20,  662.2785,  663,   0, -10,-279,1163,35.0,,O3 S3 ,,C,42,H,15,,,O,3,S,3,,,,,,,,,,,,,,,
    1885, 556.746530,  0.1794,  569791.90,  556.1249,  557,   0,  -4,-125,1164, 0.0,,,No Hit
    1886, 648.904134,  0.1791,  623696.65,  648.1797,  649,   0, -10,-180,1165,12.0,,N2 O23 S2 ,,C,15,H,9,N,2,O,23,S,2,,,,,,,,,,,,,,,
    1887, 583.388566,  0.1790,  696630.18,  582.7372,  583,   0,  -5, 263,1166, 0.0,,O9 S1 ,,C,29,H,59,,,O,9,S,1,,,,,,,,,,,,,,,
    1888, 987.247591,  0.1788,  201421.10,  986.1454,  987,   0,  -8,-145,1167,39.0,,O12 S1 ,*, C,60,H,43,,,O,12,S,1,,,,,,,,,,,,,,,
    1889, 949.397347,  0.1787,  178542.84,  948.3374,  949,   0,  -4,-337,1168,20.0,,N2 O17 ,,C,49,H,61,N,2,O,17,,,,,,,,,,,,,,,,,
    1890,1029.462974,  0.1786,   98159.64, 1028.3136, 1029,   0,  -8,-314,1169,29.0,,O5 S3 ,,C,65,H,73,,,O,5,S,3,,,,,,,,,,,,,,,
    1891, 269.065928,  0.1782, 1306247.53,  268.7655,  269,   0, -11, 234,1170, 0.0,,,No Hit
    1892,1070.114160,  0.1782,  154630.91, 1068.9194, 1069,   0,  -9,  81,1171,73.0,,N3 O4 ,*, C,79,H,16,N,3,O,4,,,,,,,,,,,,,,,,,
    1893, 589.044838,  0.1780,  668575.85,  588.3872,  589,   0, -14,-387,1172,21.0,,O12 S1 ,,C,29,H,17,,,O,12,S,1,,,,,,,,,,,,,,,
    1894, 237.055716,  0.1193, 1383907.60,  236.7911,  237,   0,  -1, 209,1173,11.0,,O3 ,,C,15,H,9,,,O,3,,,,,,,,,,,,,,,,,
    1895, 251.071359,  0.1622, 1553187.71,  250.7911,  251,   0,  -1, 209,1173,11.0,,O3 ,,C,16,H,11,,,O,3,,,,,,,,,,,,,,,,,
    1896, 979.885166,  0.1779,  149381.32,  978.7912,  979,   0,  -1, 209,1173,11.0,,O3 ,,C,68,H,115,,,O,3,,,,,,,,,,,,,,,,,
    1897, 660.858049,  0.1779,  550899.41,  660.1202,  661,   0, -12,-120,1174, 0.0,,,No Hit
    1898,1005.164622,  0.1778,  365200.27, 1004.0424, 1005,   0,  -4, -42,1175,72.0,,HC,*, C,82,H,21,,,,,,,,,,,,,,,,,,,,,
    1899,1051.647519,  0.1776,  370966.78, 1050.4734, 1051,   0, -14,-473,1176,15.0,,N2 O14 ,,C,59,H,91,N,2,O,14,,,,,,,,,,,,,,,,,
    1900, 799.535272,  0.1776,  130241.32,  798.6426,  799,   0, -13, 357,1177,13.0,,S3 ,,C,52,H,79,,,,,S,3,,,,,,,,,,,,,,,
    1901, 564.807372,  0.1775,  673752.87,  564.1768,  565,   0, -10,-177,1178, 0.0,,,No Hit
    1902, 228.578943,  0.1775, 1760273.22,  228.3237,  229,   0, -10,-324,1179, 0.0,,,No Hit
    1903, 855.663413,  0.1773,  153130.06,  854.7081,  855,   0, -13, 292,1180, 0.0,,,No Hit
    1904, 805.262132,  0.1772,  429985.00,  804.3631,  805,   0,  -8,-363,1181, 7.0,,O24 ,*, C,31,H,49,,,O,24,,,,,,,,,,,,,,,,,
    1905,1093.546699,  0.1770,  290480.56, 1092.3258, 1093,   0, -14,-326,1182,32.0,,O11 ,*, C,70,H,77,,,O,11,,,,,,,,,,,,,,,,,
    1906, 655.518469,  0.1769,  597031.39,  654.7866,  655,   0,  -3, 213,1183, 0.0,,,No Hit
    1907, 893.238162,  0.1768,  115304.23,  892.2409,  893,   0,  -4,-241,1184,31.0,,N2 O12 S1 ,*, C,50,H,41,N,2,O,12,S,1,,,,,,,,,,,,,,,
    1908, 751.230344,  0.1766,  542566.04,  750.3916,  751,   0,  -6,-392,1185,10.0,,O21 ,*, C,31,H,43,,,O,21,,,,,,,,,,,,,,,,,
    1909, 648.895887,  0.1764,  528497.56,  648.1714,  649,   0, -10,-171,1186, 8.0,,O29 S1 ,*, C,12,H,9,,,O,29,S,1,,,,,,,,,,,,,,,
    1910,1089.240150,  0.1763,   24295.98, 1088.0241, 1089,   0,  -4, -24,1187,46.0,,O16 ,*, C,66,H,41,,,O,16,,,,,,,,,,,,,,,,,
    1911, 612.701962,  0.1763,  739207.89,  612.0179,  613,   0,  -4, -18,1188, 0.0,,,No Hit
    1912,1093.523985,  0.1763,   96465.56, 1092.3031, 1093,   0, -14,-303,1189,41.0,,O4 S1 ,*, C,77,H,73,,,O,4,S,1,,,,,,,,,,,,,,,
    1913, 963.827209,  0.1762,  457594.39,  962.7511,  963,   0,  -3, 249,1190,17.0,,N1 O39 S2 ,*, C,21,H,10,N,1,O,39,S,2,,,,,,,,,,,,,,,
    1914, 241.154816,  0.1761, 1687783.67,  240.8856,  241,   0, -11, 114,1191, 0.0,,,No Hit
    1915, 807.239624,  0.1760,  777075.05,  806.3384,  807,   0,  -6,-338,1192,37.0,,O2 S2 ,*, C,56,H,39,,,O,2,S,2,,,,,,,,,,,,,,,
    1916,1093.499948,  0.1760,  141390.14, 1092.2791, 1093,   0, -14,-279,1193,23.0,,O10 S3 ,,C,63,H,81,,,O,10,S,3,,,,,,,,,,,,,,,
    1917, 775.242469,  0.1759,  575880.90,  774.3769,  775,   0, -10,-377,1194, 8.0,,O23 13C2 ,#, C,28,H,45,,,O,23,,,,,13C,2, ,,,,,,,,,,
    1918,1065.426218,  0.1757,  177700.94, 1064.2367, 1065,   0, -14,-237,1195,33.0,,O6 S3 ,,C,67,H,69,,,O,6,S,3,,,,,,,,,,,,,,,
    1919, 907.301636,  0.1757,  275260.15,  906.2887,  907,   0,  -4,-289,1196,24.0,,O9 S3 ,,C,51,H,55,,,O,9,S,3,,,,,,,,,,,,,,,
    1920,1079.331210,  0.1757,  438233.52, 1078.1262, 1079,   0, -14,-126,1197,11.0,,O32 ,*, C,42,H,63,,,O,32,,,,,,,,,,,,,,,,,
    1921, 599.143193,  0.1751,  330742.12,  598.4743,  599,   0,  -4,-474,1198,29.0,,N2 O3 S1 ,*, C,39,H,23,N,2,O,3,S,1,,,,,,,,,,,,,,,
    1922, 995.312572,  0.1750,   73844.59,  994.2014,  995,   0, -14,-201,1199, 4.0,,O30 S1 ,*, C,35,H,63,,,O,30,S,1,,,,,,,,,,,,,,,
    1923, 987.266085,  0.1749,   85387.47,  986.1638,  987,   0,  -8,-164,1200,39.0,,O14 ,*, C,60,H,43,,,O,14,,,,,,,,,,,,,,,,,
    1924, 861.271054,  0.1748,  617697.65,  860.3095,  861,   0,  -8,-309,1201,34.0,,O5 S2 ,*, C,56,H,45,,,O,5,S,2,,,,,,,,,,,,,,,
    1925, 745.730956,  0.1748,  405064.39,  744.8984,  745,   0, -11, 102,1202, 0.0,,,No Hit
    1926,1065.483247,  0.1746,  174313.62, 1064.2937, 1065,   0, -14,-294,1203,28.0,,O12 S1 ,*, C,64,H,73,,,O,12,S,1,,,,,,,,,,,,,,,
    1927, 867.817973,  0.1742,  285282.36,  866.8491,  867,   0,  -1, 151,1204,14.0,,N3 O36 S2 ,,C,15,H,6,N,3,O,36,S,2,,,,,,,,,,,,,,,
    1928, 563.119429,  0.1742,  677086.43,  562.4907,  563,   0, -12,-491,1205,18.0,,O12 ,,C,29,H,23,,,O,12,,,,,,,,,,,,,,,,,
    1929, 594.767285,  0.1741,  336525.13,  594.1033,  595,   0,  -8,-103,1206, 0.0,,,No Hit
    1930,1061.320729,  0.1739,  433731.61, 1060.1358, 1061,   0,  -4,-136,1207,12.0,,O31 ,*, C,42,H,61,,,O,31,,,,,,,,,,,,,,,,,
    1931, 849.235512,  0.1738,  504804.65,  848.2874,  849,   0,  -6,-287,1208, 0.0,,,No Hit
    1932,1083.806215,  0.1738,  211594.82, 1082.5962, 1083,   0,  -9, 404,1209,13.0,,O2 S3 ,*, C,70,H,115,,,O,2,S,3,,,,,,,,,,,,,,,
    1933, 821.501713,  0.1736,  473216.42,  820.5845,  821,   0,  -5, 415,1210, 5.0,,N2 O15 ,,C,40,H,73,N,2,O,15,,,,,,,,,,,,,,,,,
    1934, 897.016062,  0.1736,  177242.11,  896.0146,  897,   0, -14, -15,1211,45.0,,O17 ,*, C,51,H,13,,,O,17,,,,,,,,,,,,,,,,,
    1935, 867.840577,  0.1736,  354458.05,  866.8717,  867,   0,  -1, 128,1212,17.0,,N1 O31 S3 ,,C,21,H,10,N,1,O,31,S,3,,,,,,,,,,,,,,,
    1936, 979.318827,  0.1734,  199613.42,  978.2255,  979,   0,  -2,-225,1213,30.0,,O11 S2 ,*, C,57,H,55,,,O,11,S,2,,,,,,,,,,,,,,,
    1937, 791.238112,  0.1734,  447997.88,  790.3547,  791,   0,  -8,-355,1214,47.0,,O1 ,*, C,62,H,31,,,O,1,,,,,,,,,,,,,,,,,
    1938, 660.854390,  0.1734,  594608.78,  660.1166,  661,   0, -12,-117,1215,18.0,,O20 S3 ,,C,20,H,5,,,O,20,S,3,,,,,,,,,,,,,,,
    1939, 979.858447,  0.1734,  535936.30,  978.7645,  979,   0,  -1, 236,1216,34.0,,N3 O28 S2 ,,C,35,H,6,N,3,O,28,S,2,,,,,,,,,,,,,,,
    1940, 883.984945,  0.1730,  247549.81,  882.9980,  883,   0, -13,   2,1217,62.0,,N1 O2 S2 ,*, C,64,H,6,N,1,O,2,S,2,,,,,,,,,,,,,,,
    1941, 679.648448,  0.1727,  482877.96,  678.8897,  679,   0,  -7, 110,1218, 0.0,,,No Hit
    1942, 626.871435,  0.1725,  296191.87,  626.1716,  627,   0,  -4,-172,1219,11.0,,O30 ,*, C,12,H,3,,,O,30,,,,,,,,,,,,,,,,,
    1943, 799.528812,  0.1725,  688654.93,  798.6362,  799,   0, -13, 364,1220, 0.0,,,No Hit
    1944, 601.127280,  0.1724,  952329.55,  600.4562,  601,   0,  -2,-456,1221, 0.0,,,No Hit
    1945, 871.399152,  0.1723,  110751.68,  870.4263,  871,   0, -12,-426,1222, 0.0,,,No Hit
    1946, 715.501079,  0.1721,  240929.38,  714.7023,  715,   0, -13, 298,1223, 3.0,,O6 S2 ,,C,40,H,75,,,O,6,S,2,,,,,,,,,,,,,,,
    1947, 949.385677,  0.1719,  460520.48,  948.3257,  949,   0,  -4,-326,1224,38.0,,N2 O7 ,*, C,63,H,53,N,2,O,7,,,,,,,,,,,,,,,,,
    1948, 953.094139,  0.1717,  158370.13,  952.0301,  953,   0, -14, -30,1225,49.0,,O14 ,*, C,59,H,21,,,O,14,,,,,,,,,,,,,,,,,
    1949, 927.731960,  0.1717,  410418.62,  926.6962,  927,   0, -11, 304,1226, 0.0,,,No Hit
    1950, 799.508368,  0.1715,  239446.44,  798.6158,  799,   0, -13, 384,1227, 0.0,,,No Hit
    1951, 691.200943,  0.1712,  364690.46,  690.4293,  691,   0, -10,-429,1228,23.0,,O9 S1 ,,C,40,H,35,,,O,9,S,1,,,,,,,,,,,,,,,
    1952, 871.415510,  0.1712,  534225.46,  870.4426,  871,   0, -12,-443,1229,37.0,,O3 ,*, C,64,H,55,,,O,3,,,,,,,,,,,,,,,,,
    1953, 987.272789,  0.1712,  215530.11,  986.1705,  987,   0,  -8,-171,1230,56.0,,O1 S1 ,*, C,75,H,39,,,O,1,S,1,,,,,,,,,,,,,,,
    1954, 971.520432,  0.1710,  213873.50,  970.4358,  971,   0, -10,-436,1231,13.0,,O9 S3 ,,C,54,H,83,,,O,9,S,3,,,,,,,,,,,,,,,
    1955, 979.874732,  0.1706,  208528.03,  978.7807,  979,   0,  -1, 219,1232,47.0,,N1 O23 S1 ,,C,47,H,2,N,1,O,23,S,1,,,,,,,,,,,,,,,
    1956, 843.773636,  0.1705,  440386.78,  842.8316,  843,   0, -11, 168,1233, 8.0,,N1 O38 S3 ,,C,10,H,6,N,1,O,38,S,3,,,,,,,,,,,,,,,
    1957, 635.042068,  0.1702,  525941.03,  634.3331,  635,   0, -10,-333,1234, 0.0,,,No Hit
    1958,1029.298946,  0.1701,  458907.47, 1028.1498, 1029,   0,  -8,-150,1235,22.0,,N2 O24 ,,C,47,H,53,N,2,O,24,,,,,,,,,,,,,,,,,
    1959, 757.240865,  0.1700,  584744.78,  756.3954,  757,   0, -14,-395,1236, 8.0,,O22 ,*, C,30,H,45,,,O,22,,,,,,,,,,,,,,,,,
    1960, 801.229111,  0.1512,  710484.01,  800.3346,  801,   0, -12,-335,1237,39.0,,O1 S2 ,*, C,57,H,37,,,O,1,S,2,,,,,,,,,,,,,,,
    1961, 815.244582,  0.1698,  679049.67,  814.3344,  815,   0, -12,-334,1237,39.0,,O1 S2 ,*, C,58,H,39,,,O,1,S,2,,,,,,,,,,,,,,,
    1962, 575.441986,  0.1696,  402793.64,  574.7995,  575,   0, -13, 200,1238, 0.0,,,No Hit
    1963, 895.986277,  0.1696,  375049.97,  894.9860,  895,   0,  -1,  14,1239,33.0,,N1 O25 ,*, C,39,H,14,N,1,O,25,,,,,,,,,,,,,,,,,
    1964, 963.833485,  0.1695,  185078.70,  962.7574,  963,   0,  -3, 243,1240,35.0,,N1 O31 S1 ,*, C,35,H,2,N,1,O,31,S,1,,,,,,,,,,,,,,,
    1965, 789.158382,  0.1695,  233894.05,  788.2773,  789,   0, -10,-277,1241, 9.0,,O21 S2 ,*, C,29,H,41,,,O,21,S,2,,,,,,,,,,,,,,,
    1966, 635.405136,  0.1694,  426101.71,  634.6957,  635,   0,  -9, 304,1242, 0.0,,,No Hit
    1967, 753.055916,  0.1692,  270085.63,  752.2152,  753,   0,  -4,-215,1243,54.0,,O3 ,*, C,58,H,9,,,O,3,,,,,,,,,,,,,,,,,
    1968,1051.685526,  0.1691,  436308.75, 1050.5114, 1051,   0, -13, 489,1244,22.0,,O6 S1 ,,C,69,H,95,,,O,6,S,1,,,,,,,,,,,,,,,
    1969, 759.203678,  0.1689,  518428.65,  758.3561,  759,   0, -12,-356,1245,34.0,,O3 S2 ,,C,51,H,35,,,O,3,S,2,,,,,,,,,,,,,,,
    1970, 699.098151,  0.1688,  681570.25,  698.3176,  699,   0,  -2,-318,1246, 0.0,,,No Hit
    1971,1047.191570,  0.1687,  118667.94, 1046.0224, 1047,   0,  -4, -22,1247,11.0,,N2 O36 ,*, C,33,H,47,N,2,O,36,,,,,,,,,,,,,,,,,
    1972, 710.938068,  0.1685,  432563.94,  710.1443,  711,   0,  -4,-144,1248,25.0,,O23 ,,C,28,H,7,,,O,23,,,,,,,,,,,,,,,,,
    1973,1029.509852,  0.1682,  322677.34, 1028.3605, 1029,   0,  -8,-360,1249,38.0,,O6 ,*, C,72,H,69,,,O,6,,,,,,,,,,,,,,,,,
    1974, 734.929285,  0.1679,  376115.59,  734.1088,  735,   0,  -8,-109,1250,14.0,,O31 ,*, C,19,H,11,,,O,31,,,,,,,,,,,,,,,,,
    1975, 559.289993,  0.1679,  411316.59,  558.6656,  559,   0,  -1, 334,1251, 0.0,,,No Hit
    1976, 859.115122,  0.1679,  123020.20,  858.1560,  859,   0, -10,-156,1252,31.0,,O19 ,*, C,44,H,27,,,O,19,,,,,,,,,,,,,,,,,
    1977, 827.225211,  0.1679,  211534.30,  826.3017,  827,   0, -14,-302,1253,15.0,,O22 ,*, C,36,H,43,,,O,22,,,,,,,,,,,,,,,,,
    1978,1065.491338,  0.1588,  252268.53, 1064.3018, 1065,   0, -14,-302,1253,15.0,,O22 ,*, C,53,H,77,,,O,22,,,,,,,,,,,,,,,,,
    1979, 989.307635,  0.1678,  387835.34,  988.2031,  989,   0,  -6,-203,1254,42.0,,N2 O10 ,*, C,63,H,45,N,2,O,10,,,,,,,,,,,,,,,,,
    1980, 921.118454,  0.1676,  287731.64,  920.0901,  921,   0,  -4, -90,1255,44.0,,N2 O11 S1 ,*, C,55,H,25,N,2,O,11,S,1,,,,,,,,,,,,,,,
    1981, 593.130011,  0.1676,  598205.86,  592.4678,  593,   0, -10,-468,1256,18.0,,O13 ,*, C,30,H,25,,,O,13,,,,,,,,,,,,,,,,,
    1982, 594.757806,  0.1674,  251492.15,  594.0938,  595,   0,  -8, -94,1257, 0.0,,,No Hit
    1983, 899.841229,  0.1673,  265754.86,  898.8366,  899,   0, -11, 163,1258, 8.0,,S1 ,*, C,63,H,111,,,,,S,1,,,,,,,,,,,,,,,
    1984, 953.105370,  0.1670,  177685.27,  952.0413,  953,   0, -14, -41,1259,31.0,,O24 ,*, C,45,H,29,,,O,24,,,,,,,,,,,,,,,,,
    1985,1039.664980,  0.1669,  226838.65, 1038.5042, 1039,   0, -11, 496,1260, 0.0,,,No Hit
    1986, 719.339683,  0.1669,  310821.20,  718.5366,  719,   0,  -9, 463,1261,12.0,,N2 O13 ,,C,36,H,51,N,2,O,13,,,,,,,,,,,,,,,,,
    1987,1005.143225,  0.1669,  375108.38, 1004.0210, 1005,   0,  -4, -21,1262,50.0,,O11 S1 ,*, C,64,H,29,,,O,11,S,1,,,,,,,,,,,,,,,
    1988, 971.512825,  0.1669,  115637.70,  970.4282,  971,   0, -10,-428,1263,14.0,,N2 O11 S2 ,,C,52,H,79,N,2,O,11,S,2,,,,,,,,,,,,,,,
    1989, 580.933573,  0.1668,  533573.24,  580.2850,  581,   0,  -8,-285,1264,17.0,,O16 S2 ,,C,21,H,9,,,O,16,S,2,,,,,,,,,,,,,,,
    1990, 913.305677,  0.1666,  185747.66,  912.2860,  913,   0, -12,-286,1265,31.0,,O5 S3 ,,C,57,H,53,,,O,5,S,3,,,,,,,,,,,,,,,
    1991,1077.336885,  0.1666,  367155.59, 1076.1341, 1077,   0,  -2,-134,1266,60.0,,O3 ,*, C,82,H,45,,,O,3,,,,,,,,,,,,,,,,,
    1992, 721.219799,  0.1664,  613461.24,  720.4146,  721,   0,  -8,-415,1267,10.0,,O20 ,*, C,30,H,41,,,O,20,,,,,,,,,,,,,,,,,
    1993, 763.616941,  0.1664,  503923.80,  762.7644,  763,   0,  -7, 236,1268, 0.0,,,No Hit
    1994, 729.213663,  0.1664,  621204.88,  728.3995,  729,   0, -14,-400,1269, 4.0,,N1 O24 13C1 ,#, C,23,H,42,N,1,O,24,,,,,13C,1, ,,,,,,,,,,
    1995, 745.726008,  0.1664,  278896.03,  744.8934,  745,   0, -11, 107,1270, 0.0,,,No Hit
    1996, 589.015355,  0.1663,  623919.33,  588.3577,  589,   0, -14,-358,1271,39.0,,S2 ,,C,43,H,9,,,,,S,2,,,,,,,,,,,,,,,
    1997, 843.769495,  0.1662,  237681.77,  842.8275,  843,   0, -11, 173,1272, 4.0,,N3 O40 S3 ,,C,5,H,6,N,3,O,40,S,3,,,,,,,,,,,,,,,
    1998, 579.176208,  0.1662,  895027.50,  578.5296,  579,   0,  -9, 470,1273, 6.0,,O9 S3 ,,C,25,H,39,,,O,9,S,3,,,,,,,,,,,,,,,
    1999, 871.270536,  0.1660,  574361.23,  870.2978,  871,   0, -12,-298,1274,41.0,,O7 ,*, C,60,H,39,,,O,7,,,,,,,,,,,,,,,,,
    2000,1004.099197,  0.1658,  221717.97, 1002.9782, 1003,   0,  -5,  22,1275,61.0,,N1 O9 ,*, C,69,H,18,N,1,O,9,,,,,,,,,,,,,,,,,
    2001,1003.520072,  0.1658,  148271.24, 1002.3997, 1003,   0,  -6,-400,1276,26.0,,O3 S3 ,,C,65,H,79,,,O,3,S,3,,,,,,,,,,,,,,,
    2002, 575.458919,  0.1658,  368999.98,  574.8164,  575,   0, -13, 184,1277, 0.0,,,No Hit
    2003, 941.506337,  0.1657,  271554.47,  940.4552,  941,   0, -12,-455,1278,18.0,,O8 S2 ,*, C,56,H,77,,,O,8,S,2,,,,,,,,,,,,,,,
    2004, 615.214202,  0.1657,  654861.23,  614.5273,  615,   0,  -1, 473,1279, 5.0,,O18 ,,C,24,H,39,,,O,18,,,,,,,,,,,,,,,,,
    2005, 567.107845,  0.1653,  467099.43,  566.4747,  567,   0,  -8,-475,1280,17.0,,N2 O10 S1 ,,C,27,H,23,N,2,O,10,S,1,,,,,,,,,,,,,,,
    2006, 179.055879,  0.1652,  430204.07,  178.8560,  179,   0,  -3, 144,1281, 0.0,,,No Hit
    2007,1070.074173,  0.1651,  355032.48, 1068.8795, 1069,   0,  -9, 121,1282, 7.0,,N2 O1 ,*, C,74,H,137,N,2,O,1,,,,,,,,,,,,,,,,,
    2008, 899.823561,  0.1647,  165655.72,  898.8190,  899,   0, -11, 181,1283,27.0,,N1 O33 S1 ,,C,27,H,2,N,1,O,33,S,1,,,,,,,,,,,,,,,
    2009, 907.279833,  0.1647,  292523.00,  906.2669,  907,   0,  -4,-267,1284,29.0,,O7 S3 ,,C,54,H,51,,,O,7,S,3,,,,,,,,,,,,,,,
    2010,1083.866099,  0.1646,  267547.66, 1082.6560, 1083,   0,  -9, 344,1285, 4.0,,O13 ,*, C,63,H,119,,,O,13,,,,,,,,,,,,,,,,,
    2011, 559.623008,  0.1643,  623160.64,  558.9982,  559,   0,  -1,   2,1286, 0.0,,,No Hit
    2012, 855.632910,  0.1642,  324195.39,  854.6776,  855,   0, -13, 322,1287,13.0,,O4 S1 ,,C,56,H,87,,,O,4,S,1,,,,,,,,,,,,,,,
    2013, 805.268238,  0.1641,  292714.94,  804.3692,  805,   0,  -8,-369,1288,42.0,,N2 S1 ,*, C,59,H,37,N,2,,,S,1,,,,,,,,,,,,,,,
    2014, 703.195618,  0.1641,  581925.23,  702.4105,  703,   0, -12,-411,1289, 0.0,,,No Hit
    2015, 618.930073,  0.1641,  524357.99,  618.2391,  619,   0, -12,-239,1290,11.0,,N2 O21 S2 ,,C,15,H,11,N,2,O,21,S,2,,,,,,,,,,,,,,,
    2016, 691.172373,  0.1640,  576286.05,  690.4007,  691,   0, -10,-401,1291,11.0,,O20 ,*, C,28,H,35,,,O,20,,,,,,,,,,,,,,,,,
    2017, 215.033330,  0.1639, 1238569.67,  214.7933,  215,   0,  -9, 207,1292, 0.0,,,No Hit
    2018, 979.329745,  0.1639,  102837.03,  978.2364,  979,   0,  -2,-236,1293,13.0,,O26 ,*, C,42,H,59,,,O,26,,,,,,,,,,,,,,,,,
    2019,1033.845432,  0.1637,  270179.60, 1032.6912, 1033,   0,  -3, 309,1294,28.0,,N1 O38 S1 ,*, C,31,H,8,N,1,O,38,S,1,,,,,,,,,,,,,,,
    2020,1083.762309,  0.1637,  187175.73, 1082.5523, 1083,   0,  -9, 448,1295,16.0,,N2 O10 ,*, C,66,H,103,N,2,O,10,,,,,,,,,,,,,,,,,
    2021, 691.206562,  0.1637,  434955.37,  690.4349,  691,   0, -10,-435,1296,41.0,,O1 ,*, C,54,H,27,,,O,1,,,,,,,,,,,,,,,,,
    2022, 963.856707,  0.1636,  169242.85,  962.7806,  963,   0,  -3, 219,1297,17.0,,N3 O40 S1 ,,C,20,H,10,N,3,O,40,S,1,,,,,,,,,,,,,,,
    2023,1033.260279,  0.1633,  277004.47, 1032.1067, 1033,   0,  -4,-107,1298,56.0,,O1 S2 ,*, C,76,H,41,,,O,1,S,2,,,,,,,,,,,,,,,
    2024, 144.215614,  0.1632, 3036937.78,  144.0546,  145,   0, -10, -55,1299, 0.0,,,No Hit
    2025, 815.597929,  0.1632,  418858.02,  814.6874,  815,   0, -11, 313,1300, 8.0,,N2 O6 S1 ,,C,48,H,83,N,2,O,6,S,1,,,,,,,,,,,,,,,
    2026, 913.282671,  0.1631,  288539.71,  912.2630,  913,   0, -12,-263,1301,11.0,,O26 ,*, C,37,H,53,,,O,26,,,,,,,,,,,,,,,,,
    2027, 559.599894,  0.1630,  484265.36,  558.9751,  559,   0,  -1,  25,1302, 0.0,,,No Hit
    2028, 635.387803,  0.1626,  373821.72,  634.6784,  635,   0,  -9, 322,1303, 0.0,,,No Hit
    2029, 591.173343,  0.1625,  813601.29,  590.5133,  591,   0, -11, 487,1304, 0.0,,,No Hit
    2030, 987.284216,  0.1623,  212139.15,  986.1820,  987,   0,  -8,-182,1305,38.0,,O11 S1 ,*, C,61,H,47,,,O,11,S,1,,,,,,,,,,,,,,,
    2031,1033.876948,  0.1621,  144443.19, 1032.7227, 1033,   0,  -3, 277,1306, 5.0,,N2 O9 ,*, C,62,H,117,N,2,O,9,,,,,,,,,,,,,,,,,
    2032, 753.064261,  0.1619,  437535.30,  752.2235,  753,   0,  -4,-224,1307,14.0,,O26 ,*, C,26,H,25,,,O,26,,,,,,,,,,,,,,,,,
    2033, 719.325906,  0.1619,  152246.52,  718.5228,  719,   0,  -9, 477,1308,16.0,,O9 S1 ,,C,41,H,51,,,O,9,S,1,,,,,,,,,,,,,,,
    2034, 903.657922,  0.1618,  265337.87,  902.6490,  903,   0,  -7, 351,1309, 7.0,,O6 S2 ,,C,54,H,95,,,O,6,S,2,,,,,,,,,,,,,,,
    2035, 635.402546,  0.1617,  514262.94,  634.6931,  635,   0,  -9, 307,1310, 0.0,,,No Hit
    2036, 725.175864,  0.1613,  582428.60,  724.3662,  725,   0,  -4,-366,1311,41.0,,O4 ,*, C,53,H,25,,,O,4,,,,,,,,,,,,,,,,,
    2037,1079.597926,  0.1612,  328887.08, 1078.3926, 1079,   0, -14,-393,1312,39.0,,O4 ,*, C,78,H,79,,,O,4,,,,,,,,,,,,,,,,,
    2038,1004.088709,  0.1609,  232415.40, 1002.9677, 1003,   0,  -5,  32,1313, 3.0,,HC,*, C,72,H,139,,,,,,,,,,,,,,,,,,,,,
    2039, 995.892120,  0.1609,  203134.84,  994.7803,  995,   0, -13, 220,1314,29.0,,N3 O33 S1 ,,C,32,H,10,N,3,O,33,S,1,,,,,,,,,,,,,,,
    2040, 950.002212,  0.1608,  323705.57,  948.9416,  949,   0,  -3,  58,1315,26.0,,N1 O31 ,*, C,35,H,20,N,1,O,31,,,,,,,,,,,,,,,,,
    2041, 559.598799,  0.1606,  665592.21,  558.9740,  559,   0,  -1,  26,1316, 0.0,,,No Hit
    2042,1004.073275,  0.1605,  202686.58, 1002.9523, 1003,   0,  -5,  48,1317,62.0,,N3 O9 ,*, C,67,H,14,N,3,O,9,,,,,,,,,,,,,,,,,
    2043, 633.414263,  0.1604,  570116.88,  632.7071,  633,   0, -11, 293,1318, 0.0,,,No Hit
    2044, 855.658307,  0.1604,  200104.01,  854.7030,  855,   0, -13, 297,1319, 0.0,,,No Hit
    2045, 239.077977,  0.1599, 1832878.25,  238.8111,  239,   0, -13, 189,1320, 0.0,,,No Hit
    2046, 893.229616,  0.1598,  521754.74,  892.2324,  893,   0,  -4,-232,1321,27.0,,O18 ,*, C,47,H,41,,,O,18,,,,,,,,,,,,,,,,,
    2047,1057.814504,  0.1598,  361849.75, 1056.6335, 1057,   0,  -7, 366,1322, 3.0,,O9 S2 ,*, C,61,H,117,,,O,9,S,2,,,,,,,,,,,,,,,
    2048, 745.198616,  0.1598,  591922.66,  744.3666,  745,   0, -12,-367,1323,17.0,,O18 ,*, C,35,H,37,,,O,18,,,,,,,,,,,,,,,,,
    2049,1093.554415,  0.1598,  367150.07, 1092.3335, 1093,   0, -14,-334,1324,10.0,,N2 O23 ,*, C,51,H,85,N,2,O,23,,,,,,,,,,,,,,,,,
    2050, 734.889560,  0.1595,  410468.02,  734.0691,  735,   0,  -8, -69,1325,10.0,,N2 O29 S2 ,,C,14,H,11,N,2,O,29,S,2,,,,,,,,,,,,,,,
    2051,1083.817129,  0.1594,  174756.52, 1082.6071, 1083,   0,  -9, 393,1326,23.0,,O4 ,*, C,76,H,107,,,O,4,,,,,,,,,,,,,,,,,
    2052, 727.223507,  0.1591,  618657.14,  726.4116,  727,   0,  -2,-412,1327,35.0,,N2 O5 ,*, C,49,H,31,N,2,O,5,,,,,,,,,,,,,,,,,
    2053, 899.821953,  0.1589,  159554.59,  898.8173,  899,   0, -11, 183,1328, 0.0,,N2 O5 S1 ,*, C,54,H,111,N,2,O,5,S,1,,,,,,,,,,,,,,,
    2054, 995.889513,  0.1588,  202332.68,  994.7776,  995,   0, -13, 222,1329,33.0,,N3 O28 S2 ,,C,36,H,10,N,3,O,28,S,2,,,,,,,,,,,,,,,
    2055, 754.974225,  0.1588,  224426.70,  754.1313,  755,   0,  -2,-131,1330,38.0,,O16 ,*, C,41,H,7,,,O,16,,,,,,,,,,,,,,,,,
    2056, 628.855114,  0.1588,  628593.08,  628.1530,  629,   0,  -2,-153,1331, 5.0,,O26 S3 ,,C,9,H,9,,,O,26,S,3,,,,,,,,,,,,,,,
    2057,1096.118189,  0.1587,  456358.05, 1094.8944, 1095,   0, -11, 106,1332,21.0,,N1 O36 ,*, C,39,H,38,N,1,O,36,,,,,,,,,,,,,,,,,
    2058, 649.198560,  0.1586,  669051.48,  648.4738,  649,   0, -10,-474,1333, 9.0,,O18 ,,C,27,H,37,,,O,18,,,,,,,,,,,,,,,,,
    2059,1057.823034,  0.1586,  140339.49, 1056.6420, 1057,   0,  -7, 358,1334,17.0,,O6 ,*, C,71,H,109,,,O,6,,,,,,,,,,,,,,,,,
    2060,1057.826245,  0.1584,  140260.82, 1056.6452, 1057,   0,  -7, 355,1335,12.0,,O6 S1 ,*, C,68,H,113,,,O,6,S,1,,,,,,,,,,,,,,,
    2061, 917.258348,  0.1584,  180258.78,  916.2343,  917,   0,  -8,-234,1336, 2.0,,N2 O32 ,*, C,27,H,53,N,2,O,32,,,,,,,,,,,,,,,,,
    2062, 979.861821,  0.1582,  353488.43,  978.7679,  979,   0,  -1, 232,1337,39.0,,N1 O31 ,*, C,39,H,2,N,1,O,31,,,,,,,,,,,,,,,,,
    2063,1029.514282,  0.1582,  140973.32, 1028.3649, 1029,   0,  -8,-365,1338,32.0,,O1 S3 ,,C,70,H,77,,,O,1,S,3,,,,,,,,,,,,,,,
    2064, 821.171823,  0.1582,  422853.65,  820.2550,  821,   0,  -6,-255,1339, 0.0,,O30 S1 ,*, C,22,H,45,,,O,30,S,1,,,,,,,,,,,,,,,
    2065, 995.318486,  0.1580,  370419.80,  994.2073,  995,   0, -14,-207,1340,40.0,,N2 O11 ,*, C,62,H,47,N,2,O,11,,,,,,,,,,,,,,,,,
    2066, 942.050655,  0.1579,  126425.49,  940.9989,  941,   0, -11,   1,1341,14.0,,N3 O35 ,*, C,26,H,28,N,3,O,35,,,,,,,,,,,,,,,,,
    2067,1005.213061,  0.1579,  282138.23, 1004.0908, 1005,   0,  -4, -91,1342,53.0,,O9 ,*, C,69,H,33,,,O,9,,,,,,,,,,,,,,,,,
    2068,1047.181857,  0.1578,  272932.52, 1046.0127, 1047,   0,  -4, -13,1343,63.0,,O1 S2 ,*, C,78,H,31,,,O,1,S,2,,,,,,,,,,,,,,,
    2069, 793.253106,  0.1575,  493535.01,  792.3675,  793,   0,  -6,-367,1344, 7.0,,O24 13C2 ,#, C,28,H,47,,,O,24,,,,,13C,2, ,,,,,,,,,,
    2070, 649.219735,  0.1573,  574328.61,  648.4949,  649,   0, -10,-495,1345, 4.0,,O20 ,*, C,24,H,41,,,O,20,,,,,,,,,,,,,,,,,
    2071, 971.510532,  0.1573,  114424.47,  970.4259,  971,   0, -10,-426,1346,28.0,,O9 ,*, C,63,H,71,,,O,9,,,,,,,,,,,,,,,,,
    2072, 723.417485,  0.1568,  539229.11,  722.6098,  723,   0,  -5, 390,1347, 4.0,,O15 ,,C,35,H,63,,,O,15,,,,,,,,,,,,,,,,,
    2073, 845.235986,  0.1567,  198657.65,  844.2923,  845,   0, -10,-292,1348,14.0,,O23 ,*, C,36,H,45,,,O,23,,,,,,,,,,,,,,,,,
    2074, 241.154971,  0.1566,  785309.68,  240.8857,  241,   0, -11, 114,1349, 0.0,,,No Hit
    2075,1039.677345,  0.1566,  403672.09, 1038.5166, 1039,   0, -11, 483,1350, 7.0,,O9 S3 ,,C,58,H,103,,,O,9,S,3,,,,,,,,,,,,,,,
    2076, 734.906297,  0.1565,  232369.02,  734.0858,  735,   0,  -8, -86,1351,22.0,,O19 S3 ,,C,27,H,11,,,O,19,S,3,,,,,,,,,,,,,,,
    2077, 203.071380,  0.1565, 2076743.09,  202.8447,  203,   0,  -7, 155,1352, 7.0,,O3 ,,C,12,H,11,,,O,3,,,,,,,,,,,,,,,,,
    2078, 972.041088,  0.1565,  217848.91,  970.9559,  971,   0,  -9,  44,1353,72.0,,N3 O3 ,*, C,73,H,6,N,3,O,3,,,,,,,,,,,,,,,,,
    2079, 995.835975,  0.1563,  286575.72,  994.7242,  995,   0, -13, 276,1354,43.0,,N1 O25 S2 ,*, C,43,H,2,N,1,O,25,S,2,,,,,,,,,,,,,,,
    2080, 709.231952,  0.1563,  602818.03,  708.4401,  709,   0,  -6,-440,1355, 5.0,,O22 13C2 ,#, C,24,H,43,,,O,22,,,,,13C,2, ,,,,,,,,,,
    2081, 987.292261,  0.1563,  184323.13,  986.1900,  987,   0,  -8,-190,1356,43.0,,N2 O10 ,*, C,63,H,43,N,2,O,10,,,,,,,,,,,,,,,,,
    2082, 789.599442,  0.1562,  399899.15,  788.7179,  789,   0,  -9, 282,1357, 0.0,,,No Hit
    2083, 995.340512,  0.1562,  258183.91,  994.2293,  995,   0, -14,-229,1358,17.0,,O24 ,*, C,46,H,59,,,O,24,,,,,,,,,,,,,,,,,
    2084,1003.493666,  0.1560,  196082.17, 1002.3733, 1003,   0,  -6,-373,1359,28.0,,N2 O8 S1 ,*, C,62,H,71,N,2,O,8,S,1,,,,,,,,,,,,,,,
    2085,1037.659600,  0.1560,  380996.40, 1036.5011, 1037,   0, -13, 499,1360,27.0,,N2 O3 S1 ,*, C,70,H,89,N,2,O,3,S,1,,,,,,,,,,,,,,,
    2086, 921.105806,  0.1559,  343164.30,  920.0774,  921,   0,  -4, -77,1361,18.0,,O30 ,*, C,34,H,33,,,O,30,,,,,,,,,,,,,,,,,
    2087, 789.592552,  0.1558,  430656.58,  788.7110,  789,   0,  -9, 289,1362, 1.0,,O4 S3 ,,C,45,H,89,,,O,4,S,3,,,,,,,,,,,,,,,
    2088,1029.466688,  0.1558,   93740.71, 1028.3173, 1029,   0,  -8,-317,1363,39.0,,N2 O4 S1 ,*, C,70,H,65,N,2,O,4,S,1,,,,,,,,,,,,,,,
    2089, 935.301023,  0.1557,  274883.14,  934.2568,  935,   0,  -4,-257,1364, 9.0,,N3 O24 S1 13C1 ,#, C,34,H,56,N,3,O,24,S,1,,,13C,1, ,,,,,,,,,,
    2090, 707.218564,  0.1556,  618716.10,  706.4290,  707,   0,  -8,-429,1365,32.0,,N2 O6 ,*, C,46,H,31,N,2,O,6,,,,,,,,,,,,,,,,,
    2091,1047.309750,  0.1554,  454329.13, 1046.1405, 1047,   0,  -4,-140,1366,21.0,,N2 O25 ,,C,47,H,55,N,2,O,25,,,,,,,,,,,,,,,,,
    2092, 859.129550,  0.1554,  303020.47,  858.1704,  859,   0, -10,-170,1367,53.0,,N2 O5 ,*, C,61,H,19,N,2,O,5,,,,,,,,,,,,,,,,,
    2093,1070.105265,  0.1553,   71155.67, 1068.9105, 1069,   0,  -9,  89,1368,42.0,,N1 O23 ,*, C,55,H,28,N,1,O,23,,,,,,,,,,,,,,,,,
    2094, 729.237003,  0.1553,  543388.34,  728.4228,  729,   0, -14,-423,1369, 8.0,,O21 13C2 ,#, C,27,H,43,,,O,21,,,,,13C,2, ,,,,,,,,,,
    2095, 941.494667,  0.1552,  190744.85,  940.4435,  941,   0, -12,-444,1370, 9.0,,O11 S3 ,,C,49,H,81,,,O,11,S,3,,,,,,,,,,,,,,,
    2096, 949.378612,  0.1552,  147544.26,  948.3187,  949,   0,  -4,-319,1371,32.0,,O3 S3 ,,C,62,H,61,,,O,3,S,3,,,,,,,,,,,,,,,
    2097, 710.955054,  0.1549,  295484.72,  710.1613,  711,   0,  -4,-161,1372, 0.0,,,No Hit
    2098, 855.645427,  0.1548,  289498.32,  854.6901,  855,   0, -13, 310,1373, 0.0,,,No Hit
    2099, 821.099261,  0.1548,  384878.74,  820.1825,  821,   0,  -6,-183,1374,29.0,,O19 ,*, C,41,H,25,,,O,19,,,,,,,,,,,,,,,,,
    2100, 893.250601,  0.1546,  154834.20,  892.2533,  893,   0,  -4,-253,1375,22.0,,O20 ,*, C,44,H,45,,,O,20,,,,,,,,,,,,,,,,,
    2101, 715.527973,  0.1545,  520357.64,  714.7291,  715,   0, -13, 271,1376,16.0,,S1 ,,C,51,H,71,,,,,S,1,,,,,,,,,,,,,,,
    2102, 921.452662,  0.1544,  596659.98,  920.4239,  921,   0,  -4,-424,1377,35.0,,O5 ,*, C,65,H,61,,,O,5,,,,,,,,,,,,,,,,,
    2103, 761.214695,  0.1544,  572716.49,  760.3648,  761,   0, -10,-365,1378,12.0,,O21 ,*, C,32,H,41,,,O,21,,,,,,,,,,,,,,,,,
    2104, 855.661730,  0.1544,  144949.34,  854.7064,  855,   0, -13, 294,1379,13.0,,N2 O5 ,,C,55,H,87,N,2,O,5,,,,,,,,,,,,,,,,,
    2105, 953.080476,  0.1541,  194391.71,  952.0164,  953,   0, -14, -16,1380,14.0,,O35 ,*, C,30,H,33,,,O,35,,,,,,,,,,,,,,,,,
    2106, 995.878110,  0.1540,  387756.60,  994.7663,  995,   0, -13, 234,1381,34.0,,N1 O34 ,*, C,36,H,6,N,1,O,34,,,,,,,,,,,,,,,,,
    2107, 897.034213,  0.1538,  316948.91,  896.0327,  897,   0, -14, -33,1382,71.0,,O1 ,*, C,73,H,5,,,O,1,,,,,,,,,,,,,,,,,
    2108, 710.951052,  0.1538,  363082.72,  710.1573,  711,   0,  -4,-157,1383,33.0,,O15 S1 ,*, C,36,H,7,,,O,15,S,1,,,,,,,,,,,,,,,
    2109, 921.112930,  0.1537,  392193.27,  920.0846,  921,   0,  -4, -85,1384,62.0,,O4 ,*, C,70,H,17,,,O,4,,,,,,,,,,,,,,,,,
    2110,1037.684026,  0.1537,  158789.62, 1036.5255, 1037,   0, -13, 474,1385, 0.0,,O21 ,*, C,50,H,101,,,O,21,,,,,,,,,,,,,,,,,
    2111, 789.160144,  0.1537,  225486.21,  788.2791,  789,   0, -10,-279,1386, 0.0,,,No Hit
    2112, 867.806145,  0.1536,  475413.32,  866.8373,  867,   0,  -1, 163,1387,14.0,,N1 O37 S2 ,*, C,16,H,6,N,1,O,37,S,2,,,,,,,,,,,,,,,
    2113, 199.214845,  0.1536, 1790884.78,  198.9924,  199,   0, -11,   8,1388, 0.0,,,No Hit
    2114,1029.528333,  0.1536,  189288.41, 1028.3789, 1029,   0,  -8,-379,1389,37.0,,O3 S1 ,*, C,73,H,73,,,O,3,S,1,,,,,,,,,,,,,,,
    2115, 867.787201,  0.1532,  500546.92,  866.8184,  867,   0,  -1, 182,1390, 0.0,,,No Hit
    2116,1004.079290,  0.1532,  120164.13, 1002.9583, 1003,   0,  -5,  42,1391,53.0,,N3 O14 ,*, C,60,H,18,N,3,O,14,,,,,,,,,,,,,,,,,
    2117, 821.535552,  0.1531,  460174.44,  820.6183,  821,   0,  -5, 382,1392, 8.0,,N2 O9 S1 ,,C,45,H,77,N,2,O,9,S,1,,,,,,,,,,,,,,,
    2118, 917.247062,  0.1531,  325205.56,  916.2230,  917,   0,  -8,-223,1393, 2.0,,O33 ,*, C,28,H,53,,,O,33,,,,,,,,,,,,,,,,,
    2119, 861.673373,  0.1528,  150488.22,  860.7114,  861,   0,  -7, 289,1394,10.0,,N2 O1 S2 ,,C,55,H,93,N,2,O,1,S,2,,,,,,,,,,,,,,,
    2120, 710.948610,  0.1526,  539351.45,  710.1549,  711,   0,  -4,-155,1395,37.0,,O10 S2 ,*, C,40,H,7,,,O,10,S,2,,,,,,,,,,,,,,,
    2121, 821.163085,  0.1526,  256014.34,  820.2463,  821,   0,  -6,-246,1396,14.0,,O25 ,*, C,32,H,37,,,O,25,,,,,,,,,,,,,,,,,
    2122, 883.976478,  0.1522,  462607.26,  882.9896,  883,   0, -13,  10,1397,19.0,,N1 O33 ,*, C,27,H,18,N,1,O,33,,,,,,,,,,,,,,,,,
    2123, 893.234751,  0.1522,  111819.14,  892.2375,  893,   0,  -4,-237,1398, 9.0,,N2 O25 S1 ,,C,32,H,49,N,2,O,25,S,1,,,,,,,,,,,,,,,
    2124, 717.203558,  0.1520,  499470.30,  716.4028,  717,   0, -12,-403,1399,16.0,,O17 ,*, C,34,H,37,,,O,17,,,,,,,,,,,,,,,,,
    2125, 843.778076,  0.1519,   84434.07,  842.8360,  843,   0, -11, 164,1400, 0.0,,,No Hit
    2126, 859.110689,  0.1518,   71174.27,  858.1515,  859,   0, -10,-152,1401, 0.0,,N2 O34 S1 ,,C,18,H,39,N,2,O,34,S,1,,,,,,,,,,,,,,,
    2127,1096.145951,  0.1517,   91501.31, 1094.9222, 1095,   0, -11,  78,1402,60.0,,N1 O12 ,*, C,72,H,26,N,1,O,12,,,,,,,,,,,,,,,,,
    2128, 811.209594,  0.1515,  501167.19,  810.3039,  811,   0,  -2,-304,1403,19.0,,O14 S2 ,*, C,40,H,43,,,O,14,S,2,,,,,,,,,,,,,,,
    2129, 789.181967,  0.1514,   85986.05,  788.3009,  789,   0, -10,-301,1404, 0.0,,O28 S1 ,*, C,22,H,45,,,O,28,S,1,,,,,,,,,,,,,,,
    2130,1005.158384,  0.1512,  222478.54, 1004.0362, 1005,   0,  -4, -36,1405,54.0,,O8 S1 ,*, C,68,H,29,,,O,8,S,1,,,,,,,,,,,,,,,
    2131, 827.105447,  0.1511,  439491.96,  826.1820,  827,   0, -14,-182,1406,35.0,,O10 S2 ,,C,48,H,27,,,O,10,S,2,,,,,,,,,,,,,,,
    2132, 781.258079,  0.1509,  106290.63,  780.3858,  781,   0,  -4,-386,1407, 1.0,,N2 O26 ,,C,24,H,49,N,2,O,26,,,,,,,,,,,,,,,,,
    2133,1033.832044,  0.1508,  479545.27, 1032.6778, 1033,   0,  -3, 322,1408, 1.0,,O11 S1 ,*, C,59,H,117,,,O,11,S,1,,,,,,,,,,,,,,,
    2134, 847.191845,  0.1508,  176306.34,  846.2460,  847,   0,  -8,-246,1409,50.0,,O4 ,*, C,63,H,27,,,O,4,,,,,,,,,,,,,,,,,
    2135, 865.229909,  0.1508,  267910.01,  864.2639,  865,   0,  -4,-264,1410,34.0,,O7 S2 ,*, C,54,H,41,,,O,7,S,2,,,,,,,,,,,,,,,
    2136, 975.420282,  0.1507,  348969.15,  974.3313,  975,   0,  -6,-331,1411,47.0,,O2 ,*, C,74,H,55,,,O,2,,,,,,,,,,,,,,,,,
    2137,1023.326149,  0.1506,  359535.36, 1022.1837, 1023,   0, -14,-184,1412, 5.0,,O33 ,*, C,36,H,63,,,O,33,,,,,,,,,,,,,,,,,
    2138, 821.186926,  0.1506,  593179.73,  820.2701,  821,   0,  -6,-270,1413,49.0,,N2 O3 ,*, C,60,H,25,N,2,O,3,,,,,,,,,,,,,,,,,
    2139, 979.872275,  0.1501,  199005.09,  978.7783,  979,   0,  -1, 222,1414,51.0,,N1 O18 S2 ,,C,51,H,2,N,1,O,18,S,2,,,,,,,,,,,,,,,
    2140, 881.252720,  0.1498,  140340.19,  880.2688,  881,   0,  -2,-269,1415, 8.0,,N2 O27 ,,C,31,H,49,N,2,O,27,,,,,,,,,,,,,,,,,
    2141, 754.960153,  0.1495,  238971.87,  754.1173,  755,   0,  -2,-117,1416, 0.0,,,No Hit
    2142, 949.350235,  0.1485,  201689.25,  948.2903,  949,   0,  -4,-290,1417,21.0,,O19 ,*, C,49,H,57,,,O,19,,,,,,,,,,,,,,,,,
    2143, 779.093090,  0.1481,  300908.81,  778.2233,  779,   0,  -6,-223,1418,49.0,,S2 ,*, C,58,H,19,,,,,S,2,,,,,,,,,,,,,,,
    2144, 775.240136,  0.1481,  451744.98,  774.3746,  775,   0, -10,-375,1419,24.0,,O8 S2 ,*, C,45,H,43,,,O,8,S,2,,,,,,,,,,,,,,,
    2145, 779.084019,  0.1480,  280344.95,  778.2142,  779,   0,  -6,-214,1420,36.0,,O8 S2 ,*, C,47,H,23,,,O,8,S,2,,,,,,,,,,,,,,,
    2146, 987.830122,  0.1479,  406898.01,  986.7273,  987,   0,  -7, 273,1421,33.0,,N3 O33 S1 ,*, C,32,H,2,N,3,O,33,S,1,,,,,,,,,,,,,,,
    2147, 859.117547,  0.1476,   70900.67,  858.1584,  859,   0, -10,-158,1422, 0.0,,O37 ,*, C,19,H,39,,,O,37,,,,,,,,,,,,,,,,,
    2148, 905.278222,  0.1474,  522315.41,  904.2675,  905,   0,  -6,-268,1423, 9.0,,O27 ,*, C,35,H,53,,,O,27,,,,,,,,,,,,,,,,,
    2149, 718.849094,  0.1471,  411693.09,  718.0465,  719,   0, -10, -47,1424, 7.0,,O35 S1 ,,C,10,H,7,,,O,35,S,1,,,,,,,,,,,,,,,
    2150, 893.224557,  0.1470,  137073.23,  892.2273,  893,   0,  -4,-227,1425,35.0,,O8 S2 ,*, C,55,H,41,,,O,8,S,2,,,,,,,,,,,,,,,
    2151, 957.511518,  0.1466,  332375.18,  956.4425,  957,   0, -10,-443,1426,19.0,,N2 O13 ,,C,54,H,73,N,2,O,13,,,,,,,,,,,,,,,,,
    2152, 200.565637,  0.1464, 1853764.44,  200.3417,  201,   0, -10,-342,1427, 0.0,,,No Hit
    2153, 893.247256,  0.1463,  151699.53,  892.2500,  893,   0,  -4,-250,1428, 0.0,,O33 ,*, C,26,H,53,,,O,33,,,,,,,,,,,,,,,,,
    2154, 965.107286,  0.1461,  396950.31,  964.0298,  965,   0,  -2, -30,1429,19.0,,N2 O31 ,*, C,34,H,33,N,2,O,31,,,,,,,,,,,,,,,,,
    2155, 867.784867,  0.1461,  531888.17,  866.8160,  867,   0,  -1, 184,1430, 1.0,,O5 S1 ,*, C,54,H,107,,,O,5,S,1,,,,,,,,,,,,,,,
    2156, 199.214241,  0.1459,  980289.70,  198.9918,  199,   0, -11,   8,1431, 0.0,,,No Hit
    2157, 877.670461,  0.1456,  228775.00,  876.6906,  877,   0,  -5, 309,1432, 6.0,,N2 O7 S1 ,,C,51,H,93,N,2,O,7,S,1,,,,,,,,,,,,,,,
    2158, 921.294204,  0.1452,  528379.46,  920.2656,  921,   0,  -4,-266,1433, 4.0,,O30 ,*, C,32,H,57,,,O,30,,,,,,,,,,,,,,,,,
    2159, 877.679942,  0.1447,  386970.59,  876.7001,  877,   0,  -5, 300,1434, 0.0,,,No Hit
    2160, 949.369388,  0.1446,  230418.57,  948.3095,  949,   0,  -4,-309,1435,19.0,,O11 S3 ,*, C,51,H,65,,,O,11,S,3,,,,,,,,,,,,,,,
    2161, 941.529651,  0.1446,  136759.91,  940.4785,  941,   0, -12,-478,1436,27.0,,N2 O4 S1 ,*, C,62,H,73,N,2,O,4,S,1,,,,,,,,,,,,,,,
    2162, 935.342654,  0.1440,  334263.00,  934.2984,  935,   0,  -4,-298,1437,25.0,,N2 O13 S1 ,,C,51,H,55,N,2,O,13,S,1,,,,,,,,,,,,,,,
    2163, 789.184080,  0.1421,   79538.85,  788.3030,  789,   0, -10,-303,1438,14.0,,N2 O22 ,,C,31,H,37,N,2,O,22,,,,,,,,,,,,,,,,,
    2164, 753.047847,  0.1420,  203680.13,  752.2071,  753,   0,  -4,-207,1439,28.0,,N2 O18 ,*, C,35,H,17,N,2,O,18,,,,,,,,,,,,,,,,,
    2165, 753.070533,  0.1414,  211783.03,  752.2298,  753,   0,  -4,-230,1440,31.0,,O13 S1 ,*, C,41,H,21,,,O,13,S,1,,,,,,,,,,,,,,,
    2166, 183.066300,  0.0948, 1989223.80,  182.8619,  183,   0, -13, 138,1441, 4.0,,O4 ,,C,9,H,11,,,O,4,,,,,,,,,,,,,,,,,
    2167, 197.081949,  0.1406, 2184032.20,  196.8619,  197,   0, -13, 138,1441, 4.0,,O4 ,,C,10,H,13,,,O,4,,,,,,,,,,,,,,,,,
    2168, 191.071383,  0.1400, 2053245.97,  190.8581,  191,   0,  -5, 142,1442, 6.0,,O3 ,,C,11,H,11,,,O,3,,,,,,,,,,,,,,,,,
    2169, 154.442935,  0.1378, 2660863.81,  154.2705,  155,   0, -14,-271,1443, 0.0,,,No Hit
    2170, 242.575669,  0.1354, 1534100.60,  242.3048,  243,   0, -10,-305,1444, 0.0,,,No Hit
    2171, 221.066879,  0.1341, 2671882.23,  220.8201,  221,   0,  -3, 180,1445, 0.0,,,No Hit
    2172, 213.076855,  0.1334, 1867075.26,  212.8390,  213,   0, -11, 161,1446, 4.0,,O5 ,,C,10,H,13,,,O,5,,,,,,,,,,,,,,,,,
    2173, 199.206202,  0.1283, 1639100.19,  198.9838,  199,   0, -11,  16,1447, 0.0,,,No Hit
    2174, 228.577654,  0.1281, 1439072.46,  228.3225,  229,   0, -10,-322,1448, 0.0,,,No Hit
    2175, 213.055732,  0.1260, 1915834.37,  212.8179,  213,   0, -11, 182,1449, 9.0,,O3 ,,C,13,H,9,,,O,3,,,,,,,,,,,,,,,,,
    2176, 199.207156,  0.1250, 1248201.80,  198.9848,  199,   0, -11,  15,1450, 0.0,,,No Hit
    2177, 145.099126,  0.1221, 2671794.92,  144.9371,  145,   0,  -9,  63,1451, 0.0,,,No Hit
    2178, 212.979205,  0.1214, 1946280.84,  212.7414,  213,   0, -11, 259,1452, 0.0,,,No Hit
    2179, 241.146156,  0.1204,  659992.27,  240.8769,  241,   0, -11, 123,1453, 0.0,,,No Hit
    2180, 239.076909,  0.1204,  337543.20,  238.8100,  239,   0, -13, 190,1454, 0.0,,,No Hit
    2181, 200.565096,  0.1200, 2106573.35,  200.3412,  201,   0, -10,-341,1455, 0.0,,,No Hit
    2182, 199.208688,  0.1198,  607428.51,  198.9863,  199,   0, -11,  14,1456, 0.0,,,No Hit
    2183, 185.012554,  0.1189, 2108587.41,  184.8060,  185,   0, -11, 194,1457, 0.0,,O6 S1 ,,C,4,H,9,,,O,6,S,1,,,,,,,,,,,,,,,
    2184, 208.643550,  0.1176, 1549757.94,  208.4106,  209,   0,  -2,-411,1458, 0.0,,,No Hit
    2185, 152.385527,  0.1172, 2611730.71,  152.2154,  153,   0,  -2,-215,1459, 0.0,,,No Hit
    2186, 215.032392,  0.1171, 1678832.37,  214.7923,  215,   0,  -9, 208,1460, 0.0,,,No Hit
    2187, 199.206454,  0.1168, 2189864.07,  198.9840,  199,   0, -11,  16,1461, 0.0,,,No Hit
    2188, 205.051169,  0.1167, 1889330.27,  204.8222,  205,   0,  -5, 178,1462, 0.0,,,No Hit
    2189, 248.960409,  0.1160, 1766641.74,  248.6825,  249,   0,  -3, 318,1463, 0.0,,,No Hit
    2190, 241.145668,  0.1159, 1478614.99,  240.8764,  241,   0, -11, 124,1464, 0.0,,,No Hit
    2191, 199.207866,  0.1154, 1232860.75,  198.9855,  199,   0, -11,  15,1465, 0.0,,,No Hit
    2192, 241.150617,  0.1149, 1637066.67,  240.8814,  241,   0, -11, 119,1466, 0.0,,,No Hit
    2193, 199.207681,  0.1137, 2052433.02,  198.9853,  199,   0, -11,  15,1467, 0.0,,,No Hit
    2194, 199.209615,  0.1137, 2271445.82,  198.9872,  199,   0, -11,  13,1468, 0.0,,,No Hit
    2195, 241.154569,  0.1131, 1703774.52,  240.8853,  241,   0, -11, 115,1469, 0.0,,,No Hit
    2196, 156.972844,  0.1126, 2437227.41,  156.7976,  157,   0, -11, 202,1470, 0.0,,,No Hit
    2197, 187.061222,  0.1107, 1534049.60,  186.8524,  187,   0,  -9, 148,1471, 3.0,,O5 ,,C,8,H,11,,,O,5,,,,,,,,,,,,,,,,,
    2198, 241.155182,  0.1092,  442353.05,  240.8859,  241,   0, -11, 114,1472, 0.0,,,No Hit
    2199, 140.465768,  0.1081, 2004546.75,  140.3089,  141,   0, -14,-309,1473, 0.0,,,No Hit
    2200, 199.207420,  0.1073, 1155801.96,  198.9850,  199,   0, -11,  15,1474, 0.0,,,No Hit
    2201, 199.208834,  0.1043,  588534.37,  198.9864,  199,   0, -11,  14,1475, 0.0,,,No Hit
    2202, 199.210042,  0.1006, 1325621.25,  198.9876,  199,   0, -11,  12,1476, 0.0,,,No Hit
    2203, 199.205801,  0.1002, 2022481.07,  198.9834,  199,   0, -11,  17,1477, 0.0,,,No Hit
    2204, 175.002409,  0.0975, 2259954.23,  174.8070,  175,   0,  -7, 193,1478, 0.0,,,No Hit
    2205, 199.203133,  0.0974, 1228107.33,  198.9807,  199,   0, -11,  19,1479, 0.0,,,No Hit
    2206, 199.214002,  0.0971,  446763.18,  198.9916,  199,   0, -11,   8,1480, 0.0,,,No Hit
    2207, 140.457319,  0.0967, 1563955.51,  140.3005,  141,   0, -14,-301,1481, 0.0,,,No Hit
    2208, 146.382248,  0.0967, 2561316.47,  146.2188,  147,   0,  -8,-219,1482, 0.0,,,No Hit
    2209, 179.056797,  0.0961, 1104810.41,  178.8569,  179,   0,  -3, 143,1483, 0.0,,,No Hit
    2210, 179.056447,  0.0959, 2759688.31,  178.8565,  179,   0,  -3, 143,1484, 0.0,,,No Hit
    2211, 144.215865,  0.0928, 2695530.43,  144.0549,  145,   0, -10, -55,1485, 0.0,,,No Hit
    2212, 138.846671,  0.0832,  885707.62,  138.6917,  139,   0,  -1, 308,1486, 0.0,,,No Hit
    2213, 148.439377,  0.0786, 2584214.69,  148.2737,  149,   0,  -6,-274,1487, 0.0,,,No Hit