diff test-data/skyline_output.csv @ 0:d45fffedc467 draft

planemo upload for repository https://github.com/MetaboHUB-MetaToul-FluxoMet/tools_w4m commit 23cfca443338f5ae8eed54b44a5b0d7b02563334
author workflow4metabolomics
date Tue, 19 Mar 2024 14:49:27 +0000
parents
children
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/skyline_output.csv	Tue Mar 19 14:49:27 2024 +0000
@@ -0,0 +1,413 @@
+File Name;Molecule Name;Product Adduct;Product Mz;Total Area
+1Bc.raw;2PG_3PG;[M-H];184.985664;295079
+1Cc.raw;2PG_3PG;[M-H];184.985664;43339152
+1Bc.raw;2PG_3PG;[M1C13-1H];185.989018;21721
+1Cc.raw;2PG_3PG;[M1C13-1H];185.989018;384440
+1Bc.raw;2PG_3PG;[M2C13-1H];186.992373;0
+1Cc.raw;2PG_3PG;[M2C13-1H];186.992373;20673
+1Bc.raw;2PG_3PG;[M3C13-1H];187.995728;817336
+1Cc.raw;2PG_3PG;[M3C13-1H];187.995728;717032
+1Bc.raw;6PG;[M-H];275.017358;20488444
+1Cc.raw;6PG;[M-H];275.017358;174559680
+1Bc.raw;6PG;[M1C13-1H];276.020713;1353794
+1Cc.raw;6PG;[M1C13-1H];276.020713;9204649
+1Bc.raw;6PG;[M2C13-1H];277.024067;2034893
+1Cc.raw;6PG;[M2C13-1H];277.024067;715170
+1Bc.raw;6PG;[M3C13-1H];278.027422;3868554
+1Cc.raw;6PG;[M3C13-1H];278.027422;1536649
+1Bc.raw;6PG;[M4C13-1H];279.030777;1407862
+1Cc.raw;6PG;[M4C13-1H];279.030777;80192
+1Bc.raw;6PG;[M5C13-1H];280.034132;14516783
+1Cc.raw;6PG;[M5C13-1H];280.034132;101574
+1Bc.raw;6PG;[M6C13-1H];281.037487;149455936
+1Cc.raw;6PG;[M6C13-1H];281.037487;3293361
+1Bc.raw;FruBP;[M-H];338.988774;43524440
+1Cc.raw;FruBP;[M-H];338.988774;343385984
+1Bc.raw;FruBP;[M1C13-1H];339.992129;5018922
+1Cc.raw;FruBP;[M1C13-1H];339.992129;23490898
+1Bc.raw;FruBP;[M2C13-1H];340.995484;5249852
+1Cc.raw;FruBP;[M2C13-1H];340.995484;7612326
+1Bc.raw;FruBP;[M3C13-1H];341.998839;23203430
+1Cc.raw;FruBP;[M3C13-1H];341.998839;4299920
+1Bc.raw;FruBP;[M4C13-1H];343.002193;5899907
+1Cc.raw;FruBP;[M4C13-1H];343.002193;15122
+1Bc.raw;FruBP;[M5C13-1H];344.005548;30436672
+1Cc.raw;FruBP;[M5C13-1H];344.005548;84067
+1Bc.raw;FruBP;[M6C13-1H];345.008903;331211488
+1Cc.raw;FruBP;[M6C13-1H];345.008903;4920671
+1Bc.raw;F6P;[M-H];259.022443;7924251
+1Cc.raw;F6P;[M-H];259.022443;41230904
+1Bc.raw;F6P;[M1C13-1H];260.025798;162158
+1Cc.raw;F6P;[M1C13-1H];260.025798;2986936
+1Bc.raw;F6P;[M2C13-1H];261.029153;59431
+1Cc.raw;F6P;[M2C13-1H];261.029153;243332
+1Bc.raw;F6P;[M3C13-1H];262.032508;2732191
+1Cc.raw;F6P;[M3C13-1H];262.032508;103702
+1Bc.raw;F6P;[M4C13-1H];263.035862;172443
+1Cc.raw;F6P;[M4C13-1H];263.035862;18357
+1Bc.raw;F6P;[M5C13-1H];264.039217;3695150
+1Cc.raw;F6P;[M5C13-1H];264.039217;0
+1Bc.raw;F6P;[M6C13-1H];265.042572;47925972
+1Cc.raw;F6P;[M6C13-1H];265.042572;0
+1Bc.raw;Glc6P;[M-H];259.022443;5363725
+1Cc.raw;Glc6P;[M-H];259.022443;109423144
+1Bc.raw;Glc6P;[M1C13-1H];260.025798;50205
+1Cc.raw;Glc6P;[M1C13-1H];260.025798;6682065
+1Bc.raw;Glc6P;[M2C13-1H];261.029153;28468
+1Cc.raw;Glc6P;[M2C13-1H];261.029153;827495
+1Bc.raw;Glc6P;[M3C13-1H];262.032508;728908
+1Cc.raw;Glc6P;[M3C13-1H];262.032508;124630
+1Bc.raw;Glc6P;[M4C13-1H];263.035862;114192
+1Cc.raw;Glc6P;[M4C13-1H];263.035862;0
+1Bc.raw;Glc6P;[M5C13-1H];264.039217;5325325
+1Cc.raw;Glc6P;[M5C13-1H];264.039217;0
+1Bc.raw;Glc6P;[M6C13-1H];265.042572;71047344
+1Cc.raw;Glc6P;[M6C13-1H];265.042572;14839
+1Bc.raw;Glycerol3P;[M-H];171.006399;27313730
+1Cc.raw;Glycerol3P;[M-H];171.006399;22702250
+1Bc.raw;Glycerol3P;[M1C13-1H];172.009754;194608
+1Cc.raw;Glycerol3P;[M1C13-1H];172.009754;226523
+1Bc.raw;Glycerol3P;[M2C13-1H];173.013109;0
+1Cc.raw;Glycerol3P;[M2C13-1H];173.013109;0
+1Bc.raw;Glycerol3P;[M3C13-1H];174.016464;2109259
+1Cc.raw;Glycerol3P;[M3C13-1H];174.016464;0
+1Bc.raw;Man6P;[M-H];259.022443;7415886
+1Cc.raw;Man6P;[M-H];259.022443;29522790
+1Bc.raw;Man6P;[M1C13-1H];260.025798;164595
+1Cc.raw;Man6P;[M1C13-1H];260.025798;1846092
+1Bc.raw;Man6P;[M2C13-1H];261.029153;189478
+1Cc.raw;Man6P;[M2C13-1H];261.029153;76491
+1Bc.raw;Man6P;[M3C13-1H];262.032508;2058744
+1Cc.raw;Man6P;[M3C13-1H];262.032508;403253
+1Bc.raw;Man6P;[M4C13-1H];263.035862;210092
+1Cc.raw;Man6P;[M4C13-1H];263.035862;12494
+1Bc.raw;Man6P;[M5C13-1H];264.039217;2233690
+1Cc.raw;Man6P;[M5C13-1H];264.039217;0
+1Bc.raw;Man6P;[M6C13-1H];265.042572;25720328
+1Cc.raw;Man6P;[M6C13-1H];265.042572;0
+1Bc.raw;Rib1P;[M-H];229.011878;1159334
+1Cc.raw;Rib1P;[M-H];229.011878;9710056
+1Bc.raw;Rib1P;[M1C13-1H];230.015233;45995
+1Cc.raw;Rib1P;[M1C13-1H];230.015233;153362
+1Bc.raw;Rib1P;[M2C13-1H];231.018588;1315014
+1Cc.raw;Rib1P;[M2C13-1H];231.018588;10469
+1Bc.raw;Rib1P;[M3C13-1H];232.021943;176568
+1Cc.raw;Rib1P;[M3C13-1H];232.021943;246750
+1Bc.raw;Rib1P;[M4C13-1H];233.025298;596625
+1Cc.raw;Rib1P;[M4C13-1H];233.025298;0
+1Bc.raw;Rib1P;[M5C13-1H];234.028653;10429096
+1Cc.raw;Rib1P;[M5C13-1H];234.028653;0
+1Bc.raw;RibuBP;[M-H];308.978209;2230721
+1Cc.raw;RibuBP;[M-H];308.978209;23132056
+1Bc.raw;RibuBP;[M1C13-1H];309.981564;293094
+1Cc.raw;RibuBP;[M1C13-1H];309.981564;476256
+1Bc.raw;RibuBP;[M2C13-1H];310.984919;3889052
+1Cc.raw;RibuBP;[M2C13-1H];310.984919;22399
+1Bc.raw;RibuBP;[M3C13-1H];311.988274;821719
+1Cc.raw;RibuBP;[M3C13-1H];311.988274;1036051
+1Bc.raw;RibuBP;[M4C13-1H];312.991629;1959176
+1Cc.raw;RibuBP;[M4C13-1H];312.991629;0
+1Bc.raw;RibuBP;[M5C13-1H];313.994984;21985638
+1Cc.raw;RibuBP;[M5C13-1H];313.994984;15252
+1Bc.raw;CitIsocit;[M-H];191.019727;838341120
+1Cc.raw;CitIsocit;[M-H];191.019727;468549376
+1Bc.raw;CitIsocit;[M1C13-1H];192.023082;101047488
+1Cc.raw;CitIsocit;[M1C13-1H];192.023082;108765856
+1Bc.raw;CitIsocit;[M2C13-1H];193.026436;92395712
+1Cc.raw;CitIsocit;[M2C13-1H];193.026436;285495552
+1Bc.raw;CitIsocit;[M3C13-1H];194.029791;7150959
+1Cc.raw;CitIsocit;[M3C13-1H];194.029791;109556672
+1Bc.raw;CitIsocit;[M4C13-1H];195.033146;688004
+1Cc.raw;CitIsocit;[M4C13-1H];195.033146;77349936
+1Bc.raw;CitIsocit;[M5C13-1H];196.036501;151768
+1Cc.raw;CitIsocit;[M5C13-1H];196.036501;28082652
+1Bc.raw;CitIsocit;[M6C13-1H];197.039856;17839710
+1Cc.raw;CitIsocit;[M6C13-1H];197.039856;23705252
+1Bc.raw;Malate;[M-H];133.014247;22269720
+1Cc.raw;Malate;[M-H];133.014247;391202752
+1Bc.raw;Malate;[M1C13-1H];134.017602;2951479
+1Cc.raw;Malate;[M1C13-1H];134.017602;92022056
+1Bc.raw;Malate;[M2C13-1H];135.020957;151174
+1Cc.raw;Malate;[M2C13-1H];135.020957;119120744
+1Bc.raw;Malate;[M3C13-1H];136.024312;11304
+1Cc.raw;Malate;[M3C13-1H];136.024312;54604696
+1Bc.raw;Malate;[M4C13-1H];137.027667;15523
+1Cc.raw;Malate;[M4C13-1H];137.027667;9230890
+1Bc.raw;Succ;[M-H];117.019333;45289940
+1Cc.raw;Succ;[M-H];117.019333;41509728
+1Bc.raw;Succ;[M1C13-1H];118.022688;1848810
+1Cc.raw;Succ;[M1C13-1H];118.022688;2928804
+1Bc.raw;Succ;[M2C13-1H];119.026042;331868
+1Cc.raw;Succ;[M2C13-1H];119.026042;2333543
+1Bc.raw;Succ;[M3C13-1H];120.029397;0
+1Cc.raw;Succ;[M3C13-1H];120.029397;356473
+1Bc.raw;Succ;[M4C13-1H];121.032752;19201
+1Cc.raw;Succ;[M4C13-1H];121.032752;18578
+1Bc.raw;ADP;[M-H];426.02214;2440984576
+1Cc.raw;ADP;[M-H];426.02214;2201489152
+1Bc.raw;ADP;[M1C13-1H];427.025495;271398304
+1Cc.raw;ADP;[M1C13-1H];427.025495;237094816
+1Bc.raw;ADP;[M2C13-1H];428.02885;79139232
+1Cc.raw;ADP;[M2C13-1H];428.02885;54469464
+1Bc.raw;ADP;[M3C13-1H];429.032204;21046842
+1Cc.raw;ADP;[M3C13-1H];429.032204;16188251
+1Bc.raw;ADP;[M4C13-1H];430.035559;20803564
+1Cc.raw;ADP;[M4C13-1H];430.035559;1593009
+1Bc.raw;ADP;[M5C13-1H];431.038914;189281952
+1Cc.raw;ADP;[M5C13-1H];431.038914;2258170
+1Bc.raw;ADP;[M6C13-1H];432.042269;12261620
+1Cc.raw;ADP;[M6C13-1H];432.042269;1380628
+1Bc.raw;ADP;[M7C13-1H];433.045624;4199929
+1Cc.raw;ADP;[M7C13-1H];433.045624;1013611
+1Bc.raw;ADP;[M8C13-1H];434.048979;1020241
+1Cc.raw;ADP;[M8C13-1H];434.048979;344656
+1Bc.raw;ADP;[M9C13-1H];435.052333;707909
+1Cc.raw;ADP;[M9C13-1H];435.052333;420721
+1Bc.raw;ADP;[M10C13-1H];436.055688;286802
+1Cc.raw;ADP;[M10C13-1H];436.055688;365821
+1Bc.raw;ATP;[M-H];505.988471;352560256
+1Cc.raw;ATP;[M-H];505.988471;2799310848
+1Bc.raw;ATP;[M1C13-1H];506.991826;41379616
+1Cc.raw;ATP;[M1C13-1H];506.991826;331956160
+1Bc.raw;ATP;[M2C13-1H];507.99518;14031760
+1Cc.raw;ATP;[M2C13-1H];507.99518;90597680
+1Bc.raw;ATP;[M3C13-1H];508.998535;2838365
+1Cc.raw;ATP;[M3C13-1H];508.998535;22771812
+1Bc.raw;ATP;[M4C13-1H];510.00189;2316501
+1Cc.raw;ATP;[M4C13-1H];510.00189;2131422
+1Bc.raw;ATP;[M5C13-1H];511.005245;23784890
+1Cc.raw;ATP;[M5C13-1H];511.005245;4392749
+1Bc.raw;ATP;[M6C13-1H];512.0086;1430278
+1Cc.raw;ATP;[M6C13-1H];512.0086;151160
+1Bc.raw;ATP;[M7C13-1H];513.011955;448952
+1Cc.raw;ATP;[M7C13-1H];513.011955;95579
+1Bc.raw;ATP;[M8C13-1H];514.015309;139656
+1Cc.raw;ATP;[M8C13-1H];514.015309;66479
+1Bc.raw;ATP;[M9C13-1H];515.018664;24315
+1Cc.raw;ATP;[M9C13-1H];515.018664;159731
+1Bc.raw;ATP;[M10C13-1H];516.022019;824445
+1Cc.raw;ATP;[M10C13-1H];516.022019;242683
+1Bc.raw;CDP;[M-H];402.010906;277854432
+1Cc.raw;CDP;[M-H];402.010906;180155776
+1Bc.raw;CDP;[M1C13-1H];403.014261;25613546
+1Cc.raw;CDP;[M1C13-1H];403.014261;17352972
+1Bc.raw;CDP;[M2C13-1H];404.017616;6720281
+1Cc.raw;CDP;[M2C13-1H];404.017616;4084237
+1Bc.raw;CDP;[M3C13-1H];405.020971;595503
+1Cc.raw;CDP;[M3C13-1H];405.020971;378573
+1Bc.raw;CDP;[M4C13-1H];406.024326;822431
+1Cc.raw;CDP;[M4C13-1H];406.024326;345580
+1Bc.raw;CDP;[M5C13-1H];407.027681;15691563
+1Cc.raw;CDP;[M5C13-1H];407.027681;874316
+1Bc.raw;CDP;[M6C13-1H];408.031035;2569059
+1Cc.raw;CDP;[M6C13-1H];408.031035;1719445
+1Bc.raw;CDP;[M7C13-1H];409.03439;3205500
+1Cc.raw;CDP;[M7C13-1H];409.03439;2595231
+1Bc.raw;CDP;[M8C13-1H];410.037745;2198661
+1Cc.raw;CDP;[M8C13-1H];410.037745;1984864
+1Bc.raw;CDP;[M9C13-1H];411.0411;1912321
+1Cc.raw;CDP;[M9C13-1H];411.0411;981080
+1Bc.raw;CTP;[M-H];481.977237;97752376
+1Cc.raw;CTP;[M-H];481.977237;354104640
+1Bc.raw;CTP;[M1C13-1H];482.980592;9014061
+1Cc.raw;CTP;[M1C13-1H];482.980592;37810844
+1Bc.raw;CTP;[M2C13-1H];483.983947;2637210
+1Cc.raw;CTP;[M2C13-1H];483.983947;12270652
+1Bc.raw;CTP;[M3C13-1H];484.987302;493995
+1Cc.raw;CTP;[M3C13-1H];484.987302;1147615
+1Bc.raw;CTP;[M4C13-1H];485.990657;225668
+1Cc.raw;CTP;[M4C13-1H];485.990657;374674
+1Bc.raw;CTP;[M5C13-1H];486.994012;3881030
+1Cc.raw;CTP;[M5C13-1H];486.994012;530041
+1Bc.raw;CTP;[M6C13-1H];487.997366;321278
+1Cc.raw;CTP;[M6C13-1H];487.997366;445751
+1Bc.raw;CTP;[M7C13-1H];489.000721;567000
+1Cc.raw;CTP;[M7C13-1H];489.000721;497650
+1Bc.raw;CTP;[M8C13-1H];490.004076;436078
+1Cc.raw;CTP;[M8C13-1H];490.004076;503947
+1Bc.raw;CTP;[M9C13-1H];491.007431;379632
+1Cc.raw;CTP;[M9C13-1H];491.007431;171234
+1Bc.raw;Cytidine;[M-H];242.078245;110500024
+1Cc.raw;Cytidine;[M-H];242.078245;94952984
+1Bc.raw;Cytidine;[M1C13-1H];243.081599;6917021
+1Cc.raw;Cytidine;[M1C13-1H];243.081599;6293648
+1Bc.raw;Cytidine;[M2C13-1H];244.084954;253535
+1Cc.raw;Cytidine;[M2C13-1H];244.084954;219137
+1Bc.raw;Cytidine;[M3C13-1H];245.088309;91008
+1Cc.raw;Cytidine;[M3C13-1H];245.088309;0
+1Bc.raw;Cytidine;[M4C13-1H];246.091664;0
+1Cc.raw;Cytidine;[M4C13-1H];246.091664;0
+1Bc.raw;Cytidine;[M5C13-1H];247.095019;3953760
+1Cc.raw;Cytidine;[M5C13-1H];247.095019;1140258
+1Bc.raw;Cytidine;[M6C13-1H];248.098374;0
+1Cc.raw;Cytidine;[M6C13-1H];248.098374;0
+1Bc.raw;Cytidine;[M7C13-1H];249.101728;0
+1Cc.raw;Cytidine;[M7C13-1H];249.101728;0
+1Bc.raw;Cytidine;[M8C13-1H];250.105083;0
+1Cc.raw;Cytidine;[M8C13-1H];250.105083;0
+1Bc.raw;Cytidine;[M9C13-1H];251.108438;0
+1Cc.raw;Cytidine;[M9C13-1H];251.108438;0
+1Bc.raw;GDP;[M-H];442.017054;183419200
+1Cc.raw;GDP;[M-H];442.017054;5829401
+1Bc.raw;GDP;[M1C13-1H];443.020409;20590900
+1Cc.raw;GDP;[M1C13-1H];443.020409;422107
+1Bc.raw;GDP;[M2C13-1H];444.023764;7804884
+1Cc.raw;GDP;[M2C13-1H];444.023764;92678
+1Bc.raw;GDP;[M3C13-1H];445.027119;1823927
+1Cc.raw;GDP;[M3C13-1H];445.027119;236742
+1Bc.raw;GDP;[M4C13-1H];446.030474;2016415
+1Cc.raw;GDP;[M4C13-1H];446.030474;13772
+1Bc.raw;GDP;[M5C13-1H];447.033829;19619284
+1Cc.raw;GDP;[M5C13-1H];447.033829;31978
+1Bc.raw;GDP;[M6C13-1H];448.037183;1194784
+1Cc.raw;GDP;[M6C13-1H];448.037183;26256
+1Bc.raw;GDP;[M7C13-1H];449.040538;201536
+1Cc.raw;GDP;[M7C13-1H];449.040538;36826
+1Bc.raw;GDP;[M8C13-1H];450.043893;309616
+1Cc.raw;GDP;[M8C13-1H];450.043893;43431
+1Bc.raw;GDP;[M9C13-1H];451.047248;268794
+1Cc.raw;GDP;[M9C13-1H];451.047248;0
+1Bc.raw;GDP;[M10C13-1H];452.050603;77674
+1Cc.raw;GDP;[M10C13-1H];452.050603;33280
+1Bc.raw;GMP;[M-H];362.050724;131522216
+1Cc.raw;GMP;[M-H];362.050724;397354
+1Bc.raw;GMP;[M1C13-1H];363.054078;13938626
+1Cc.raw;GMP;[M1C13-1H];363.054078;213919
+1Bc.raw;GMP;[M2C13-1H];364.057433;3637522
+1Cc.raw;GMP;[M2C13-1H];364.057433;0
+1Bc.raw;GMP;[M3C13-1H];365.060788;606319
+1Cc.raw;GMP;[M3C13-1H];365.060788;0
+1Bc.raw;GMP;[M4C13-1H];366.064143;963454
+1Cc.raw;GMP;[M4C13-1H];366.064143;0
+1Bc.raw;GMP;[M5C13-1H];367.067498;13534815
+1Cc.raw;GMP;[M5C13-1H];367.067498;0
+1Bc.raw;GMP;[M6C13-1H];368.070853;134354
+1Cc.raw;GMP;[M6C13-1H];368.070853;0
+1Bc.raw;GMP;[M7C13-1H];369.074207;0
+1Cc.raw;GMP;[M7C13-1H];369.074207;0
+1Bc.raw;GMP;[M8C13-1H];370.077562;0
+1Cc.raw;GMP;[M8C13-1H];370.077562;0
+1Bc.raw;GMP;[M9C13-1H];371.080917;0
+1Cc.raw;GMP;[M9C13-1H];371.080917;0
+1Bc.raw;GMP;[M10C13-1H];372.084272;0
+1Cc.raw;GMP;[M10C13-1H];372.084272;0
+1Bc.raw;GTP;[M-H];442.017054;1377586
+1Cc.raw;GTP;[M-H];442.017054;685898
+1Bc.raw;GTP;[M1C13-1H];443.020409;169988
+1Cc.raw;GTP;[M1C13-1H];443.020409;60237
+1Bc.raw;GTP;[M2C13-1H];444.023764;338539
+1Cc.raw;GTP;[M2C13-1H];444.023764;89532
+1Bc.raw;GTP;[M3C13-1H];445.027119;15879
+1Cc.raw;GTP;[M3C13-1H];445.027119;39374
+1Bc.raw;GTP;[M4C13-1H];446.030474;10927
+1Cc.raw;GTP;[M4C13-1H];446.030474;0
+1Bc.raw;GTP;[M5C13-1H];447.033829;130142
+1Cc.raw;GTP;[M5C13-1H];447.033829;25645
+1Bc.raw;GTP;[M6C13-1H];448.037183;124400
+1Cc.raw;GTP;[M6C13-1H];448.037183;16310
+1Bc.raw;GTP;[M7C13-1H];449.040538;115268
+1Cc.raw;GTP;[M7C13-1H];449.040538;4394
+1Bc.raw;GTP;[M8C13-1H];450.043893;99669
+1Cc.raw;GTP;[M8C13-1H];450.043893;14385
+1Bc.raw;GTP;[M9C13-1H];451.047248;102146
+1Cc.raw;GTP;[M9C13-1H];451.047248;44732
+1Bc.raw;GTP;[M10C13-1H];452.050603;61715
+1Cc.raw;GTP;[M10C13-1H];452.050603;31661
+1Bc.raw;IMP;[M-H];347.039824;21731700
+1Cc.raw;IMP;[M-H];347.039824;29553942
+1Bc.raw;IMP;[M1C13-1H];348.043179;2046580
+1Cc.raw;IMP;[M1C13-1H];348.043179;2483813
+1Bc.raw;IMP;[M2C13-1H];349.046534;1102702
+1Cc.raw;IMP;[M2C13-1H];349.046534;59175
+1Bc.raw;IMP;[M3C13-1H];350.049889;750858
+1Cc.raw;IMP;[M3C13-1H];350.049889;127272
+1Bc.raw;IMP;[M4C13-1H];351.053244;798244
+1Cc.raw;IMP;[M4C13-1H];351.053244;0
+1Bc.raw;IMP;[M5C13-1H];352.056599;10917623
+1Cc.raw;IMP;[M5C13-1H];352.056599;0
+1Bc.raw;IMP;[M6C13-1H];353.059954;134071
+1Cc.raw;IMP;[M6C13-1H];353.059954;0
+1Bc.raw;IMP;[M7C13-1H];354.063308;102530
+1Cc.raw;IMP;[M7C13-1H];354.063308;46581
+1Bc.raw;IMP;[M8C13-1H];355.066663;0
+1Cc.raw;IMP;[M8C13-1H];355.066663;0
+1Bc.raw;IMP;[M9C13-1H];356.070018;0
+1Cc.raw;IMP;[M9C13-1H];356.070018;0
+1Bc.raw;IMP;[M10C13-1H];357.073373;0
+1Cc.raw;IMP;[M10C13-1H];357.073373;0
+1Bc.raw;UDP;[M-H];402.994922;414451744
+1Cc.raw;UDP;[M-H];402.994922;701342400
+1Bc.raw;UDP;[M1C13-1H];403.998277;47638556
+1Cc.raw;UDP;[M1C13-1H];403.998277;115244616
+1Bc.raw;UDP;[M2C13-1H];405.001632;47647284
+1Cc.raw;UDP;[M2C13-1H];405.001632;59672152
+1Bc.raw;UDP;[M3C13-1H];406.004987;23283766
+1Cc.raw;UDP;[M3C13-1H];406.004987;28410322
+1Bc.raw;UDP;[M4C13-1H];407.008341;31764274
+1Cc.raw;UDP;[M4C13-1H];407.008341;5940255
+1Bc.raw;UDP;[M5C13-1H];408.011696;312608064
+1Cc.raw;UDP;[M5C13-1H];408.011696;8335464
+1Bc.raw;UDP;[M6C13-1H];409.015051;25615516
+1Cc.raw;UDP;[M6C13-1H];409.015051;716107
+1Bc.raw;UDP;[M7C13-1H];410.018406;12679936
+1Cc.raw;UDP;[M7C13-1H];410.018406;53200
+1Bc.raw;UDP;[M8C13-1H];411.021761;962342
+1Cc.raw;UDP;[M8C13-1H];411.021761;13484
+1Bc.raw;UDP;[M9C13-1H];412.025116;134556
+1Cc.raw;UDP;[M9C13-1H];412.025116;66458
+1Bc.raw;UDPAcGlcN;[M-H];606.074295;147400880
+1Cc.raw;UDPAcGlcN;[M-H];606.074295;497737888
+1Bc.raw;UDPAcGlcN;[M1C13-1H];607.077649;34547192
+1Cc.raw;UDPAcGlcN;[M1C13-1H];607.077649;124516552
+1Bc.raw;UDPAcGlcN;[M2C13-1H];608.081004;23484704
+1Cc.raw;UDPAcGlcN;[M2C13-1H];608.081004;209956608
+1Bc.raw;UDPAcGlcN;[M3C13-1H];609.084359;25758670
+1Cc.raw;UDPAcGlcN;[M3C13-1H];609.084359;65518868
+1Bc.raw;UDPAcGlcN;[M4C13-1H];610.087714;20443204
+1Cc.raw;UDPAcGlcN;[M4C13-1H];610.087714;24415836
+1Bc.raw;UDPAcGlcN;[M5C13-1H];611.091069;108661952
+1Cc.raw;UDPAcGlcN;[M5C13-1H];611.091069;15392614
+1Bc.raw;UDPAcGlcN;[M6C13-1H];612.094424;230854064
+1Cc.raw;UDPAcGlcN;[M6C13-1H];612.094424;6333184
+1Bc.raw;UDPAcGlcN;[M7C13-1H];613.097779;45257816
+1Cc.raw;UDPAcGlcN;[M7C13-1H];613.097779;4478011
+1Bc.raw;UDPAcGlcN;[M8C13-1H];614.101133;47845764
+1Cc.raw;UDPAcGlcN;[M8C13-1H];614.101133;4448550
+1Bc.raw;UDPAcGlcN;[M9C13-1H];615.104488;20391152
+1Cc.raw;UDPAcGlcN;[M9C13-1H];615.104488;3971238
+1Bc.raw;UDPAcGlcN;[M10C13-1H];616.107843;30479670
+1Cc.raw;UDPAcGlcN;[M10C13-1H];616.107843;3172275
+1Bc.raw;UDPAcGlcN;[M11C13-1H];617.111198;141836016
+1Cc.raw;UDPAcGlcN;[M11C13-1H];617.111198;4611530
+1Bc.raw;UDPAcGlcN;[M12C13-1H];618.114553;19285690
+1Cc.raw;UDPAcGlcN;[M12C13-1H];618.114553;3801463
+1Bc.raw;UDPAcGlcN;[M13C13-1H];619.117908;18404962
+1Cc.raw;UDPAcGlcN;[M13C13-1H];619.117908;4689228
+1Bc.raw;UDPAcGlcN;[M14C13-1H];620.121262;4729885
+1Cc.raw;UDPAcGlcN;[M14C13-1H];620.121262;3879133
+1Bc.raw;UDPAcGlcN;[M15C13-1H];621.124617;4016577
+1Cc.raw;UDPAcGlcN;[M15C13-1H];621.124617;5293326
+1Bc.raw;UDPAcGlcN;[M16C13-1H];622.127972;3331716
+1Cc.raw;UDPAcGlcN;[M16C13-1H];622.127972;3679576
+1Bc.raw;UDPAcGlcN;[M17C13-1H];623.131327;4362360
+1Cc.raw;UDPAcGlcN;[M17C13-1H];623.131327;4082185
+1Bc.raw;UMP;[M-H];323.028591;492295488
+1Cc.raw;UMP;[M-H];323.028591;678773184
+1Bc.raw;UMP;[M1C13-1H];324.031946;54854400
+1Cc.raw;UMP;[M1C13-1H];324.031946;106707688
+1Bc.raw;UMP;[M2C13-1H];325.035301;48958356
+1Cc.raw;UMP;[M2C13-1H];325.035301;48354456
+1Bc.raw;UMP;[M3C13-1H];326.038656;24356038
+1Cc.raw;UMP;[M3C13-1H];326.038656;24149268
+1Bc.raw;UMP;[M4C13-1H];327.04201;34483400
+1Cc.raw;UMP;[M4C13-1H];327.04201;4240274
+1Bc.raw;UMP;[M5C13-1H];328.045365;354854400
+1Cc.raw;UMP;[M5C13-1H];328.045365;2430849
+1Bc.raw;UMP;[M6C13-1H];329.04872;27630432
+1Cc.raw;UMP;[M6C13-1H];329.04872;60106
+1Bc.raw;UMP;[M7C13-1H];330.052075;10287202
+1Cc.raw;UMP;[M7C13-1H];330.052075;0
+1Bc.raw;UMP;[M8C13-1H];331.05543;256329
+1Cc.raw;UMP;[M8C13-1H];331.05543;0
+1Bc.raw;UMP;[M9C13-1H];332.058785;0
+1Cc.raw;UMP;[M9C13-1H];332.058785;0