MSCI/filtered_output.msp at main · proteomicsunitcrg/MSCI · GitHub

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COLLISION_ENERGY: 30.00
IRT: 91.352646
COMPOUND_NAME: WICDIMHQPKLQIGSR/2
NOMINAL_MASS: 962.997848
NUM PEAKS: 12
300.17      0.104931
319.17      0.110663
518.21      0.145686
704.4       0.138329
813.42      0.401477
869.96      0.109351
898.55      1.0
899.39      0.151127
1026.61     0.364169
1027.45     0.241881
1163.66     0.417647
1294.7      0.280845

COLLISION_ENERGY: 30.00
IRT: 75.456787
COMPOUND_NAME: IMQYCQLMGNAR/2
NOMINAL_MASS: 714.333250
NUM PEAKS: 10
175.12      0.128027
245.13      0.238865
373.19      0.362048
417.22      0.527991
548.26      0.555802
661.35      0.412305
789.4       0.427519
892.41      0.873514
1055.48     1.0
1183.53     0.541292

COLLISION_ENERGY: 30.00
IRT: 67.864487
COMPOUND_NAME: PMVAEIVPK/2
NOMINAL_MASS: 492.283346
NUM PEAKS: 10
147.11      0.134648
229.1       0.589179
244.17      1.0
328.17      0.190541
343.23      0.117709
528.25      0.211606
641.33      0.203573
656.4       0.290356
755.47      0.539739
886.51      0.318148

COLLISION_ENERGY: 30.00
IRT: 44.583229
COMPOUND_NAME: NSWCCTQTINCSR/2
NOMINAL_MASS: 758.310503
NUM PEAKS: 13
202.08      0.187697
262.15      0.110609
365.16      0.205954
388.16      0.389427
479.2       0.761967
592.29      0.344719
657.77      0.106589
693.33      0.670461
821.39      0.462183
922.44      0.609809
1025.45     0.886083
1128.46     1.0
1314.54     0.141496

COLLISION_ENERGY: 30.00
IRT: 73.320435
COMPOUND_NAME: ISYLRFWEVGHQRACIQGAK/2
NOMINAL_MASS: 1181.615497
NUM PEAKS: 24
275.17      0.475727
403.23      0.237543
516.31      0.122932
619.32      0.154912
633.37      0.188613
690.36      0.177354
780.44      0.1267
846.46      0.139338
923.96      0.227072
943.48      0.119731
974.52      0.195943
980.5       0.282451
1044.53     0.672181
1073.04     0.304928
1081.56     0.10822
1095.56     0.320106
1108.56     1.0
1111.58     0.124251
1125.07     0.131889
1168.6      0.363619
1194.63     0.198586
1267.67     0.322267
1396.71     0.126575
1672.87     0.140968

COLLISION_ENERGY: 30.00
IRT: 54.650723
COMPOUND_NAME: CITSKGRIMLKLRIGCIQR/2
NOMINAL_MASS: 1095.131414
NUM PEAKS: 6
175.12      0.471132
576.29      0.167377
746.4       0.138362
958.56      0.107623
990.52      0.149152
1008.08     1.0

COLLISION_ENERGY: 30.00
IRT: 157.620422
COMPOUND_NAME: RCFFWVLESLFNRICKK/2
NOMINAL_MASS: 1095.079172
NUM PEAKS: 16
260.12      0.124057
378.22      0.206593
407.19      0.17796
554.25      0.192116
740.33      0.113955
839.4       0.231266
849.93      0.172836
906.47      0.16057
908.51      0.178878
952.49      0.154804
957.98      0.105734
1017.03     0.300146
1022.03     1.0
1081.53     0.272026
1108.63     0.45893
1281.64     0.107654

COLLISION_ENERGY: 30.00
IRT: 76.278976
COMPOUND_NAME: SIKTVPWKIIRIRVYAEK/2
NOMINAL_MASS: 1100.670066
NUM PEAKS: 8
147.11      0.176398
430.27      0.18283
529.33      0.243019
836.51      0.218639
878.51      0.11138
886.04      0.133726
1000.61     0.186963
1027.62     1.0

COLLISION_ENERGY: 30.00
IRT: 4.587177
COMPOUND_NAME: TLHWKAYEYHKNTK/2
NOMINAL_MASS: 909.967928
NUM PEAKS: 16
352.2       1.0
362.2       0.198081
490.3       0.195401
538.28      0.284472
627.36      0.168115
666.37      0.142636
737.41      0.142798
786.39      0.10691
790.42      0.203712
802.9       0.651011
836.92      0.171144
919.46      0.109755
1082.53     0.214871
1153.56     0.47769
1281.66     0.418188
1467.74     0.316777

COLLISION_ENERGY: 30.00
IRT: 54.772320
COMPOUND_NAME: DFRCNFVLYHHMQVQHIRR/2
NOMINAL_MASS: 1250.123497
NUM PEAKS: 4
175.12      1.0
1085.02     0.111295
1163.07     0.897954
1192.61     0.880553

COLLISION_ENERGY: 30.00
IRT: 72.562546
COMPOUND_NAME: RYCVWQPRNFWENEK/2
NOMINAL_MASS: 1027.986326
NUM PEAKS: 9
147.11      0.102252
390.2       0.272774
423.18      0.103767
519.24      0.130627
522.25      0.163461
833.39      0.294449
836.39      0.227195
890.41      0.103931
954.93      1.0

COLLISION_ENERGY: 30.00
IRT: 136.249527
COMPOUND_NAME: NFIDNCWEIWNGR/2
NOMINAL_MASS: 833.875181
NUM PEAKS: 13
175.12      0.10428
232.14      0.251133
262.12      0.77475
346.18      0.41579
375.2       0.443839
532.26      0.914104
645.35      0.520251
774.39      0.504066
960.47      0.585352
1063.48     0.343901
1177.52     0.444123
1292.55     1.0
1405.63     0.413312

COLLISION_ENERGY: 30.00
IRT: 148.211700
COMPOUND_NAME: CDIQLNNGWLMYFTQFRTDR/2
NOMINAL_MASS: 1261.091194
NUM PEAKS: 10
175.12      0.871913
219.04      0.1573
332.13      0.233001
391.19      0.10748
460.19      0.181865
573.27      0.100066
860.92      0.270103
974.96      0.100394
1095.53     0.113131
1152.07     1.0

COLLISION_ENERGY: 30.00
IRT: 49.876701
COMPOUND_NAME: MHVRPYAMDWR/2
NOMINAL_MASS: 731.347549
NUM PEAKS: 2
361.2       1.0
1101.5      0.561667

COLLISION_ENERGY: 30.00
IRT: -12.675510
COMPOUND_NAME: LSNGRGKHIEPKFDK/2
NOMINAL_MASS: 863.473377
NUM PEAKS: 12
262.14      0.109992
409.21      0.363238
634.36      1.0
659.37      0.192302
713.41      0.256723
732.91      0.322408
763.4       0.135926
790.42      0.935121
963.55      0.198331
1013.54     0.154374
1092.59     0.902282
1317.74     0.111879

COLLISION_ENERGY: 30.00
IRT: 73.590355
COMPOUND_NAME: LIDRIRCTTGWLTSR/2
NOMINAL_MASS: 895.988338
NUM PEAKS: 5
175.12      0.42835
498.3       0.111636
725.39      1.0
808.93      0.101727
1024.49     0.135157

COLLISION_ENERGY: 30.00
IRT: 115.418762
COMPOUND_NAME: INEDWIALVK/2
NOMINAL_MASS: 600.834788
NUM PEAKS: 11
147.11      0.301738
228.13      0.680001
246.18      0.260204
357.18      0.118277
359.27      0.249951
430.3       0.552008
543.39      0.365474
729.47      0.535487
844.49      0.630059
973.54      1.0
1087.58     0.903622

COLLISION_ENERGY: 30.00
IRT: 165.856186
COMPOUND_NAME: PFVEHWFVLWYQVVILR/2
NOMINAL_MASS: 1116.111853
NUM PEAKS: 24
175.12      0.21898
245.13      0.278896
344.2       0.213203
401.29      0.111794
473.24      0.217227
500.36      0.149381
599.42      0.112192
610.3       0.660836
727.48      0.173626
796.38      0.565793
880.0       0.326946
890.55      0.418968
943.45      0.397114
944.52      0.121712
994.05      0.129805
1042.51     0.381092
1076.63     0.753178
1155.6      0.282268
1189.71     0.893146
1288.78     0.669196
1341.68     0.12415
1435.85     1.0
1621.93     0.708335
1758.98     0.206837

COLLISION_ENERGY: 30.00
IRT: -6.463486
COMPOUND_NAME: PLECMNQKR/2
NOMINAL_MASS: 559.775893
NUM PEAKS: 10
175.12      0.256899
211.14      0.433013
340.19      0.193789
454.71      0.298452
511.25      0.398421
545.32      0.14754
676.36      0.200725
779.37      0.517318
908.41      1.0
1021.49     0.303085

COLLISION_ENERGY: 30.00
IRT: 112.736481
COMPOUND_NAME: IFVDWEMCIPRTQGAR/2
NOMINAL_MASS: 961.474206
NUM PEAKS: 4
175.12      0.14591
261.16      0.129414
566.79      0.209286
724.35      1.0

COLLISION_ENERGY: 30.00
IRT: 6.881561
COMPOUND_NAME: EKEFMNTMHR/2
NOMINAL_MASS: 661.802639
NUM PEAKS: 10
175.12      0.405668
258.14      0.143772
312.18      0.210541
387.19      0.285016
544.27      0.208982
597.28      0.286763
658.31      0.563557
789.35      0.603833
936.42      0.840484
1065.46     1.0

COLLISION_ENERGY: 30.00
IRT: 128.444031
COMPOUND_NAME: NWNAWMWNVCR/2
NOMINAL_MASS: 740.324073
NUM PEAKS: 12
175.12      0.137032
278.13      0.188632
301.13      0.696438
377.2       0.10321
415.17      0.302252
486.21      0.287394
491.24      0.328914
677.32      0.752343
808.36      0.960217
994.44      1.0
1065.48     0.62786
1179.52     0.933891

COLLISION_ENERGY: 30.00
IRT: 125.768631
COMPOUND_NAME: IQINPNDYAWVSGQVYKWVK/2
NOMINAL_MASS: 1204.623510
NUM PEAKS: 16
242.15      1.0
355.23      0.262173
432.26      0.232531
469.28      0.204267
560.36      0.162769
723.42      0.187449
970.49      0.463145
1007.57     0.16324
1027.51     0.189288
1084.05     0.11379
1094.6      0.525082
1193.67     0.291801
1379.75     0.282464
1450.78     0.198534
1613.85     0.121889
1939.97     0.166195

COLLISION_ENERGY: 30.00
IRT: 139.919800
COMPOUND_NAME: YSWTWQKANYEPFWEKVW/2
NOMINAL_MASS: 1224.576028
NUM PEAKS: 23
251.1       0.128663
304.17      0.246509
432.26      0.983731
437.18      0.1647
538.23      0.491201
561.3       0.440309
724.31      0.234153
747.38      0.323845
852.37      0.232607
980.46      0.172341
991.5       1.0
1051.5      0.377103
1073.0      0.168153
1120.55     0.139013
1122.53     0.823243
1165.54     0.341344
1283.61     0.121503
1328.61     0.252823
1397.65     0.157162
1457.65     0.913377
1468.69     0.212842
1596.78     0.16927
1701.77     0.152637

COLLISION_ENERGY: 30.00
IRT: 27.246269
COMPOUND_NAME: KRPFMYEEHMAYHSQLR/2
NOMINAL_MASS: 1112.032951
NUM PEAKS: 12
175.12      0.48223
285.2       0.118645
503.29      0.218839
640.35      0.176177
660.36      0.102735
803.42      0.118236
969.93      0.250032
1024.98     0.151089
1047.99     1.0
1081.51     0.162315
1142.55     0.144259
1218.57     0.106465

COLLISION_ENERGY: 30.00
IRT: 19.708790
COMPOUND_NAME: MGEYKGHPSKENFQTWR/2
NOMINAL_MASS: 1047.994348
NUM PEAKS: 11
175.12      0.109585
318.11      0.130873
462.25      0.102023
666.29      0.119252
803.35      0.489057
807.91      0.130441
889.44      0.284442
980.46      0.123866
1292.64     1.0
1429.7      0.16414
1486.72     0.234795

COLLISION_ENERGY: 30.00
IRT: 76.211769
COMPOUND_NAME: MGLGYTVWSYHREIR/2
NOMINAL_MASS: 934.467238
NUM PEAKS: 5
175.12      0.565608
288.2       1.0
783.89      0.158859
1146.58     0.102324
1580.73     0.238149

COLLISION_ENERGY: 30.00
IRT: 85.354065
COMPOUND_NAME: ISTEINTCMIWRNCEATK/2
NOMINAL_MASS: 1056.997385
NUM PEAKS: 23
147.11      0.321802
201.12      0.162372
248.16      0.519558
319.2       0.493644
431.21      0.952301
448.24      0.124828
544.3       0.19293
551.25      0.152123
665.29      0.358737
728.33      0.126576
785.35      0.386315
821.39      0.582994
841.89      0.707039
906.42      0.34616
956.94      0.721997
1000.46     0.627686
1007.47     1.0
1120.56     0.484039
1251.6      0.401236
1354.61     0.510188
1455.65     0.407268
1569.7      0.645654
1682.78     0.114058

COLLISION_ENERGY: 30.00
IRT: -5.416294
COMPOUND_NAME: NFQAHVQVNKK/2
NOMINAL_MASS: 656.859660
NUM PEAKS: 22
147.11      0.483104
262.12      0.479542
275.21      0.364626
389.25      0.406006
390.18      0.646719
426.76      0.111769
461.21      0.242127
462.27      0.139998
488.32      0.267979
526.3       0.434676
598.27      0.388215
599.84      0.497729
616.38      0.400796
697.34      0.430335
715.45      0.558922
825.4       0.380822
852.51      0.930489
923.54      1.0
924.47      0.391614
1038.51     0.310846
1051.6      0.461338
1166.61     0.183317

COLLISION_ENERGY: 30.00
IRT: 18.476345
COMPOUND_NAME: SHGILHVMR/2
NOMINAL_MASS: 525.287285
NUM PEAKS: 9
175.12      0.172521
225.1       0.778011
282.12      0.230454
395.2       0.113211
481.77      0.280758
542.29      0.214589
655.37      0.342263
768.45      0.132741
825.48      1.0

COLLISION_ENERGY: 30.00
IRT: 129.072250
COMPOUND_NAME: HTILFFEQHTNIIDYWSYR/2
NOMINAL_MASS: 1242.110767
NUM PEAKS: 25
175.12      0.127578
239.11      0.471364
352.2       0.241756
425.21      0.212671
465.28      0.319893
611.29      0.15181
612.35      0.281955
759.42      0.173083
774.36      1.0
888.46      0.180684
889.38      0.247147
1002.47     0.20372
1016.52     0.198881
1066.52     0.123303
1115.55     0.128927
1123.06     0.230434
1153.58     0.117451
1173.58     0.137895
1229.59     0.228938
1330.64     0.364443
1467.7      0.343257
1595.76     0.215947
1709.86     0.11566
1724.8      0.109838
1871.87     0.152014

COLLISION_ENERGY: 30.00
IRT: 6.998272
COMPOUND_NAME: AQEYSRAGPLTVHK/2
NOMINAL_MASS: 778.912622
NUM PEAKS: 13
147.11      0.139648
200.1       0.22081
284.17      1.0
329.15      0.147387
383.24      0.131943
484.29      0.12298
587.8       0.107234
614.84      0.13236
705.86      0.478787
863.4       0.150165
1073.54     0.202767
1174.59     0.312633
1273.65     0.977509

COLLISION_ENERGY: 30.00
IRT: 141.348358
COMPOUND_NAME: IMGLYEKIVDAAQNVYIR/2
NOMINAL_MASS: 1048.564075
NUM PEAKS: 23
175.12      0.209755
302.15      0.421369
415.24      0.146145
451.27      0.15635
664.38      0.120249
695.4       0.106226
707.34      0.15149
792.44      0.13518
835.44      0.302651
841.45      0.128572
863.47      0.184171
926.5       0.281359
934.51      0.664796
948.52      0.33094
992.02      0.116483
1047.59     0.183657
1049.54     0.64002
1148.61     1.0
1162.62     0.216246
1261.69     0.758821
1389.78     0.3763
1518.83     0.261481
1681.89     0.178069

COLLISION_ENERGY: 30.00
IRT: -4.401394
COMPOUND_NAME: GLQCFKHQMEVRQNNRHTCK/2
NOMINAL_MASS: 1229.094080
NUM PEAKS: 14
351.17      0.113476
488.23      0.164011
628.33      0.155062
677.34      0.11582
814.4       0.115638
890.93      0.182376
954.97      1.0
1028.51     0.165386
1080.01     0.151506
1104.54     0.137528
1144.04     0.30932
1156.04     0.775376
1202.54     0.329164
1255.64     0.451159

COLLISION_ENERGY: 30.00
IRT: -5.657276
COMPOUND_NAME: GLQFCKHQMEVRQNNRHTCK/2
NOMINAL_MASS: 1229.094080
NUM PEAKS: 17
147.11      0.108852
250.12      0.101839
299.17      0.156924
351.17      0.1419
488.23      0.198739
628.33      0.214183
677.34      0.134755
814.4       0.133312
890.93      0.250402
954.97      1.0
1006.48     0.179342
1080.01     0.191865
1104.54     0.160657
1144.04     0.371767
1156.04     0.859016
1202.54     0.378744
1255.64     0.547986

COLLISION_ENERGY: 30.00
IRT: 80.302277
COMPOUND_NAME: LDVHAYIMNATER/2
NOMINAL_MASS: 766.879933
NUM PEAKS: 12
175.12      0.137074
465.25      0.316395
536.28      0.343776
590.29      0.152211
603.29      0.616072
652.82      0.322762
699.35      0.170428
721.33      0.34788
834.41      0.424178
997.48      0.931201
1068.51     1.0
1205.57     0.170625

COLLISION_ENERGY: 30.00
IRT: -28.244251
COMPOUND_NAME: KATKCMRACHYTCR/2
NOMINAL_MASS: 836.388566
NUM PEAKS: 20
129.1       0.451427
175.12      1.0
278.13      0.165403
301.19      0.131209
379.18      0.367851
429.28      0.161793
542.24      0.374143
622.25      0.210351
679.3       0.135673
686.3       0.151229
736.82      0.375747
749.33      0.270686
772.34      0.302985
782.31      0.111243
819.43      0.158318
853.34      0.35686
890.47      0.112975
993.48      0.140529
1130.54     0.103657
1497.66     0.222873

COLLISION_ENERGY: 30.00
IRT: 41.366417
COMPOUND_NAME: VMMRNPDVDHLVGNK/2
NOMINAL_MASS: 862.932173
NUM PEAKS: 19
261.16      0.10425
318.18      0.53566
417.25      0.564159
530.33      0.222526
598.27      1.0
632.3       0.249484
654.81      0.629214
667.39      0.321441
704.35      0.34245
732.86      0.265948
789.88      0.31642
844.38      0.418018
881.48      0.161719
943.45      0.161613
1058.48     0.81251
1093.56     0.111268
1195.53     0.373457
1308.62     0.277069
1407.69     0.171939

COLLISION_ENERGY: 30.00
IRT: 57.610195
COMPOUND_NAME: GRNYYISLGLYENGHHR/2
NOMINAL_MASS: 1025.006104
NUM PEAKS: 10
175.12      1.0
312.18      0.356218
620.3       0.145997
912.41      0.103661
937.95      0.125458
967.5       0.149918
1082.51     0.203689
1282.63     0.258052
1395.71     0.145803
1874.89     0.112398

COLLISION_ENERGY: 30.00
IRT: 64.409599
COMPOUND_NAME: LISRIRCTTGWLTDR/2
NOMINAL_MASS: 895.988338
NUM PEAKS: 4
175.12      1.0
470.31      0.118156
808.93      0.517501
1616.86     0.27462

COLLISION_ENERGY: 30.00
IRT: 139.423599
COMPOUND_NAME: HLVMIKIINWLAR/2
NOMINAL_MASS: 803.984338
NUM PEAKS: 14
175.12      0.135267
251.15      1.0
350.22      0.418162
481.26      0.285976
594.34      0.228985
659.36      0.101975
678.91      0.273626
735.45      0.184637
772.45      0.234222
885.53      0.363796
1013.63     0.529681
1126.71     0.36412
1257.75     0.54959
1356.82     0.815054

COLLISION_ENERGY: 30.00
IRT: 100.739868
COMPOUND_NAME: IHFPFNVGTWGDATRDNK/2
NOMINAL_MASS: 1038.008313
NUM PEAKS: 12
251.15      0.934071
398.22      1.0
704.37      0.182049
839.4       0.410021
876.42      0.133498
912.94      0.507301
981.47      0.152996
1062.5      0.105483
1220.57     0.265946
1319.63     0.108166
1677.8      0.510023
1824.87     0.112699

COLLISION_ENERGY: 30.00
IRT: 73.941177
COMPOUND_NAME: FCAKIMLIQR/2
NOMINAL_MASS: 611.843579
NUM PEAKS: 13
175.12      0.216422
251.08      0.545104
303.18      0.100704
322.12      0.274368
416.26      0.132275
486.8       0.143644
529.35      0.244932
538.31      0.443181
563.3       0.188622
660.39      0.802814
773.47      1.0
901.57      0.455403
972.6       0.846793

COLLISION_ENERGY: 30.00
IRT: -31.037373
COMPOUND_NAME: PDHQSEKSVCSRNK/2
NOMINAL_MASS: 807.886277
NUM PEAKS: 11
350.15      0.173741
478.2       0.158552
607.3       0.160423
701.85      1.0
734.83      0.126121
759.36      0.147775
793.4       0.302245
921.49      0.203981
1050.54     0.113464
1137.57     0.459433
1265.63     0.156102

COLLISION_ENERGY: 30.00
IRT: 121.263611
COMPOUND_NAME: KLGLPQWIMLKVSVSEDR/2
NOMINAL_MASS: 1050.087717
NUM PEAKS: 20
129.1       0.295214
175.12      0.42879
290.15      0.211529
412.29      0.467979
506.22      0.153613
692.32      0.385876
791.39      0.357983
823.48      0.153524
844.45      1.0
900.99      0.150787
919.48      0.368779
929.5       0.643072
936.57      0.182062
986.04      0.335111
1032.57     0.339762
1163.61     0.607181
1180.69     0.101075
1276.69     0.41233
1462.77     0.200452
1687.88     0.459279

COLLISION_ENERGY: 30.00
IRT: 78.231529
COMPOUND_NAME: QNAETYWGVECEMEK/2
NOMINAL_MASS: 908.879470
NUM PEAKS: 13
147.11      0.107952
243.11      0.2567
314.15      0.203343
407.2       0.145497
639.25      0.256968
768.29      0.396161
867.36      0.16181
924.38      1.0
1110.46     0.84048
1273.52     0.373138
1374.57     0.346661
1503.61     0.146962
1574.65     0.13302

COLLISION_ENERGY: 30.00
IRT: 160.780777
COMPOUND_NAME: CVCDNILPAWMLPEEIWR/2
NOMINAL_MASS: 1094.523038
NUM PEAKS: 9
535.16      0.119184
648.25      0.241439
761.33      0.136348
829.42      0.445881
942.5       0.182593
1073.54     0.152978
1259.62     0.110666
1427.71     1.0
1540.8      0.275265

COLLISION_ENERGY: 30.00
IRT: 102.376579
COMPOUND_NAME: HDVDVWMSAMLAAKDK/2
NOMINAL_MASS: 908.939664
NUM PEAKS: 21
253.09      1.0
262.14      0.167152
352.16      0.266554
390.23      0.160446
461.27      0.240733
467.19      0.601233
532.31      0.252794
566.26      0.440648
645.39      0.11387
752.34      0.304869
776.43      0.107143
835.89      0.157542
840.41      0.144584
883.38      0.234024
934.5       0.373072
1065.54     0.478095
1251.62     0.541549
1350.69     0.248483
1465.72     0.247051
1564.79     0.344497
1679.81     0.113347

COLLISION_ENERGY: 30.00
IRT: 35.509457
COMPOUND_NAME: HFLCPEQCVK/2
NOMINAL_MASS: 602.286094
NUM PEAKS: 11
147.11      0.145264
285.13      1.0
349.19      0.124297
398.22      0.193815
477.25      0.114588
501.23      0.245787
703.34      0.620016
727.32      0.109292
806.35      0.442891
919.44      0.816183
1066.51     0.419833

COLLISION_ENERGY: 30.00
IRT: 93.899109
COMPOUND_NAME: KFIETLLQMQR/2
NOMINAL_MASS: 703.894855
NUM PEAKS: 13
129.1       1.0
175.12      0.154193
276.17      0.228585
389.25      0.213979
434.22      0.137796
562.28      0.272352
675.36      0.484319
732.43      0.10518
788.44      0.331964
889.49      0.632126
1018.53     0.812171
1131.62     0.941573
1278.69     0.541764

COLLISION_ENERGY: 30.00
IRT: -33.807629
COMPOUND_NAME: MHQQGEQRHKK/2
NOMINAL_MASS: 703.857127
NUM PEAKS: 13
269.11      1.0
275.21      0.108111
397.17      0.377948
566.76      0.115409
569.81      0.148593
630.8       0.995937
638.34      0.517142
696.43      0.166802
711.29      0.128355
882.49      0.306422
1010.55     0.317441
1132.51     0.194692
1138.61     0.565899

COLLISION_ENERGY: 30.00
IRT: 20.937565
COMPOUND_NAME: SGLPCGRFERVK/2
NOMINAL_MASS: 674.861346
NUM PEAKS: 8
147.11      0.240123
258.14      0.21358
402.28      0.356996
546.29      0.623418
552.27      1.0
601.81      0.60635
678.39      0.133872
947.44      0.265682

COLLISION_ENERGY: 30.00
IRT: 122.539291
COMPOUND_NAME: RDFWPNIPFMRPCQWK/2
NOMINAL_MASS: 1061.019115
NUM PEAKS: 18
147.11      0.308866
157.11      0.128545
272.14      1.0
333.19      0.319974
419.2       0.451774
605.28      0.795981