diff test-data/skyline_output.txt @ 1:cdb4564fcb68 draft default tip

planemo upload for repository https://github.com/MetaboHUB-MetaToul-FluxoMet/tools_w4m commit 8ef6e3591ef837464f11000783bc4d95b2569168
author workflow4metabolomics
date Thu, 28 Mar 2024 15:12:05 +0000
parents
children
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/skyline_output.txt	Thu Mar 28 15:12:05 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