annotate test-data/input_variableMetadata.tsv @ 2:5acad2007e62 draft

planemo upload for repository https://github.com/HegemanLab/w4mclstrpeakpics_galaxy_wrapper/tree/master commit 27c378254224f9dce4e47ea48500ca3bb6e59684

variableMetadata	mz	mzmin	mzmax	rt	rtmin	rtmax	npeaks	my_blank	pool	y0	y1	y2	y3	y4	y5	y6	y7	y8	y9	isotopes	adduct	pcgroup	CV.samp	CV.pool	CV.ind	blank_mean	blank_sd	blank_CV	sample_mean	sample_sd	sample_CV	blankMean_over_sampleMean	pool_mean	pool_sd	pool_CV	poolCV_over_sampleCV
M118T229	118	118	118	229.451	228.757	230.425	55	0	8	7	5	7	6	5	2	3	7	3	2			163	1.03349161723371	0.657505675126354	1	0	0	NA	213552.951948849	220705.185674649	1.03349161723371	0	173460.1856975	114051.056504578	0.657505675126354	0.63619836306584
M143.875T249	143.875	143.875	143.875	248.6925	248.003	249.497	62	0	8	2	7	3	5	7	8	6	5	8	3			200	0.866668428860241	0.590646414075946	1	0	0	NA	289603.268541541	250990.009739687	0.866668428860241	0	249361.796759644	147284.651063619	0.590646414075946	0.681513707442542
M145.875T229	145.875	145.875	145.875	229.4375	228.757	230.425	62	0	9	8	6	6	6	6	2	6	8	4	1	[2][M]+	[M+H-COCH2]+ 186.873	163	0.86216661133598	0.419645969689113	1	0	0	NA	409771.980931631	353291.720220256	0.86216661133598	0	444322.718560723	186458.238085317	0.419645969689113	0.486734192871196
M156.875T518	156.875	156.875	156.875	518.478	517.409	519.222	26	0	7	1	0	0	0	0	8	6	1	0	3		[M+H]+ 155.866 [2M+2Na+2K-H]3+ 173.868 [M+H-HCOOH]+ 201.871	109	1.99854477563612	0.787384312150848	1	0	0	NA	529902.224912445	1059033.32319672	1.99854477563612	0	466542.805598216	367348.486074878	0.787384312150848	0.393978819864184
M161.875T214	161.875	161.875	161.875	214.045	212.89	215.483	33	0	4	5	5	0	3	4	4	2	2	3	1			11687	1.96026178189654	1.38517423954301	1	0	0	NA	110632.822330798	216869.293438413	1.96026178189654	0	58255.7875136068	80694.4161681395	1.38517423954301	0.706627172113138
M162.875T243	162.875	162.75	162.875	242.9005	242.021	244.244	50	0	4	5	4	5	5	3	7	4	6	5	2	[6][M]+	[M+Na]+ 139.89	27	6.6217595200987	1.24094454281202	1	0	0	NA	35956557.2884005	238095675.53444	6.6217595200987	0	1933778.01020922	2399711.26877902	1.24094454281202	0.187404048583378
M162.875T227	162.875	162.75	162.875	226.88	225.834	227.841	33	0	3	2	5	3	2	1	1	4	4	5	3			292	2.46582642155519	1.26025006039277	1	0	0	NA	429412.075735207	1058855.64208273	2.46582642155519	0	75717.8626391249	95423.4409637687	1.26025006039277	0.511086283031202
M164.875T317	164.875	164.875	164.875	317.047	316.063	317.901	53	0	4	0	8	8	8	8	8	6	0	0	3		[M+K]+ 125.917 [M+H-CO2]+ 207.865	99	3.20777891158024	1.22281074457447	1	0	0	NA	1796521.97807089	5762845.31544622	3.20777891158024	0	179368.717678501	219333.995217816	1.22281074457447	0.381201690727519
M164.875T256	164.875	164.75	164.875	255.82	253.918	256.342	32	0	8	0	2	2	7	5	4	4	0	0	0		[M+H]+ 163.866	161	1.83002344159852	0.609311706957135	1	0	0	NA	261534.09812818	478613.530351897	1.83002344159852	0	334362.764445135	203731.146746972	0.609311706957135	0.332952951916782
M164.875T338	164.875	164.875	164.875	337.558	336.617	338.134	54	0	7	0	8	8	7	7	7	6	0	0	4			87	2.40774480103077	0.631738765227183	1	0	0	NA	623548.929038994	1501346.69208194	2.40774480103077	0	293469.407076251	185396.000858304	0.631738765227183	0.262377792263006
M165.875T317	165.875	165.875	165.875	317.039	316.063	317.901	56	0	5	0	8	8	8	8	8	7	0	0	4	[7][M]+		99	1.10982997321072	1.02611672985688	1	0	0	NA	751103.286991909	833596.940880711	1.10982997321072	0	252456.476205591	259049.813795273	1.02611672985688	0.924571109652362
M165.875T337	165.875	165.75	165.875	337.431	335.212	338.152	53	0	8	0	7	8	7	8	6	5	0	0	4		[M+Na]+ 142.884	87	1.22056555880782	0.661972274955868	1	0	0	NA	374860.198438206	457541.447581538	1.22056555880782	0	316962.531399836	209820.40798652	0.661972274955868	0.542348807222159
M166.875T625	166.875	166.875	166.875	624.5695	623.5	625.337	26	0	1	1	2	1	6	3	4	5	0	2	1			208	1.90363556510445	2	1	0	0	NA	92851.8449207545	176756.074276711	1.90363556510445	0	14868.786067849	29737.572135698	2	1.05062126210605
M172.875T452	172.875	172.875	172.875	451.8905	450.74	453.2	22	0	5	3	4	0	1	2	3	2	2	0	0	[8][M]+	[M+H]+ 171.872 [M+H-CO]+ 199.866	1	2.78501690076941	1.12445204061718	1	0	0	NA	598071.01676608	1665637.88955388	2.78501690076941	0	1174438.67568044	1320599.96544861	1.12445204061718	0.403750526722668
M172.875T433	172.875	172.875	173	433.3265	432.642	433.957	36	0	6	6	5	1	1	2	6	4	4	0	1		[M+H-HCOOH]+ 217.871	3	1.8465365966236	0.901826895928369	1	0	0	NA	1096654.51681186	2025012.69914568	1.8465365966236	0	1321851.7927057	1192081.49909313	0.901826895928369	0.488388314413785
M176.875T293	176.875	176.75	176.875	292.918	288.591	293.646	29	0	3	0	4	3	1	1	4	3	6	4	0			174	1.78553962669974	1.53297695722039	1	0	0	NA	158239.044223647	282542.083952415	1.78553962669974	0	69726.2256259003	106888.697198455	1.53297695722039	0.858551070106366
M180.875T317	180.875	180.875	180.875	317.047	316.34	317.901	59	0	8	0	7	8	8	8	8	8	0	0	4	[11][M]+	[M+K]+ 141.91 [M+Na]+ 157.884 [M+H]+ 179.866 [M+H-CO]+ 207.865 [M+H-HCOOH]+ 225.872	99	0.91774703806549	0.591503598630657	1	0	0	NA	1310802.78391237	1202985.37242358	0.91774703806549	0	957822.821689697	566555.645880026	0.591503598630657	0.644517033667013
M180.875T338	180.875	180.875	180.875	337.595	336.366	338.069	56	0	6	0	8	7	8	8	8	7	0	0	4		[M+H-HCOOH]+ 225.872	87	3.06840889893882	0.804369492744772	1	0	0	NA	1290483.55836223	3959731.23441291	3.06840889893882	0	463371.137180013	372721.606566055	0.804369492744772	0.26214546992839
M180.875T540	180.875	180.875	180.875	539.6605	538.843	540.758	30	0	4	0	2	6	6	4	6	2	0	0	0		[2M+2Na+2K-H]3+ 209.865	138	1.67273669509929	1.43314729203548	1	0	0	NA	212333.159931487	355177.468203785	1.67273669509929	0	78769.4950992019	112888.288596423	1.43314729203548	0.856768011507282
M181.875T317	181.875	181.875	181.875	317.0545	316.477	317.96	22	0	1	0	4	2	5	3	5	1	0	0	1	[11][M+1]+		99	5.42909528817463	2.44948974278318	1	0	0	NA	3401583.05179657	18467518.5188434	5.42909528817463	0	8928.03394827843	21869.127579528	2.44948974278318	0.451178255817047
M182.875T540	182.875	182.875	182.875	539.773	538.953	540.809	31	0	3	0	4	6	5	4	4	3	0	0	2	[13][M]+	[M+Na]+ 159.882 [M+H-CO]+ 209.865	138	1.56338092205028	1.66150754417057	1	0	0	NA	360221.947424743	563164.120307643	1.56338092205028	0	156034.103228504	259251.839662049	1.66150754417057	1.06276565150329
M184.875T338	184.875	184.875	185	337.601	336.617	338.902	31	0	6	0	5	4	6	3	4	2	0	1	0		[M+H-COCH2]+ 225.872	87	1.96000288322788	0.962211981228455	1	0	0	NA	211151.492059652	413857.533234786	1.96000288322788	0	155583.34524776	149704.158876998	0.962211981228455	0.49092375805275
M187.875T229	187.875	187.875	187.875	229.443	228.884	230.425	63	0	9	8	5	5	5	6	5	5	8	5	2	[16][M]+	[M+H]+ 186.873	163	0.982986008710717	0.415337478657392	1	0	0	NA	473571.054078531	465513.720289582	0.982986008710717	0	542476.953358509	225311.010037667	0.415337478657392	0.422526338093203
M190.875T254	190.875	190.75	190.875	254.1245	253.382	256.444	24	0	5	1	3	1	2	2	2	3	2	1	2		[M+H-CH2]+ 203.885 [M+H-H20]+ 207.872	151	2.04109229797588	1.29123418615319	1	0	0	NA	89534.2529787194	182747.674159889	2.04109229797588	0	165320.290804203	213467.211151175	1.29123418615319	0.63261920464532
M192.875T540	192.875	192.875	192.875	539.799	538.843	540.809	24	0	2	0	2	5	5	3	5	2	0	0	0			138	2.0481816785158	2.03797414170079	1	0	0	NA	136523.337682168	279624.598930442	2.0481816785158	0	22762.2125527268	46388.8005903543	2.03797414170079	0.995016293270232
M198.875T338	198.875	198.875	198.875	337.6095	336.617	338.069	34	0	4	0	6	2	8	6	5	3	0	0	0		[M+K+HCOOH]+ 113.912 [M+Na+HCOOH]+ 129.883 [3M+2H]2+ 131.915 [M+K+NH3]+ 142.884	87	2.07024093119042	1.32407129628577	1	0	0	NA	427064.754630852	884126.935305583	2.07024093119042	0	222947.99041051	295199.034667151	1.32407129628577	0.639573528055216
M206.875T228	206.875	206.875	206.875	227.762	226.91	228.594	21	0	2	0	0	0	2	0	7	1	1	8	0			299	3.1571891227243	1.70807003482249	1	0	0	NA	75069.343366297	237008.114326128	3.1571891227243	0	20815.3857835117	35554.1367200864	1.70807003482249	0.541009729993185
M207.875T219	207.875	207.875	207.875	218.856	217.82	220.603	37	0	6	0	4	0	1	2	6	2	7	8	1	[19][M]+		3904	2.24443496904264	0.952856477406668	1	0	0	NA	802348.419067389	1800818.84911093	2.24443496904264	0	503945.719226214	480187.94282606	0.952856477406668	0.424541806980091
M208.875T337	208.875	208.875	208.875	337.473	336.366	338.128	26	0	3	0	4	5	7	3	2	1	0	0	1		[M+H-H20]+ 225.872	87	4.80934681142269	1.41266246747602	1	0	0	NA	485629.600465742	2335561.17053239	4.80934681142269	0	51372.1791748055	72571.5493927008	1.41266246747602	0.293732709007551
M210.875T540	210.875	210.875	210.875	539.695	538.843	540.496	39	0	5	0	4	8	8	3	7	3	0	0	1		[M+H]+ 209.865	138	1.44279679032265	1.14286778437892	1	0	0	NA	559103.834912698	806673.218469128	1.44279679032265	0	315458.162291032	360526.971001798	1.14286778437892	0.792119716403959
M220.875T389	220.875	220.875	220.875	389.4505	388.616	390.226	54	0	8	0	6	7	6	8	8	7	0	0	4	[25][M]+		4621	2.1274832160322	0.403007196236642	1	0	0	NA	1186791.38787073	2524878.75862653	2.1274832160322	0	709172.990998993	285801.818749258	0.403007196236642	0.189429083717172
M222.875T302	222.875	222.875	222.875	301.8435	300.995	302.652	78	0	10	3	8	8	8	8	8	8	5	8	4	[28][M]+		51	0.681317502476254	0.0711658834731154	1	0	0	NA	3136657.10029428	2137059.38169691	0.681317502476254	0	3200039.00559685	227733.602981729	0.0711658834731154	0.104453332278215
M222.875T251	222.875	222.875	222.875	251.04	249.947	251.658	56	0	9	0	6	6	6	7	7	8	3	0	4	[29][M]+		243	1.04302833621569	0.436400016419828	1	0	0	NA	298121.674858957	310949.354517974	1.04302833621569	0	344784.366287429	150463.903109134	0.436400016419828	0.418397085934568
M222.875T584	222.875	222.875	222.875	584.167	583.222	586.157	53	0	7	0	7	8	7	7	8	7	0	0	2	[30][M]+		17	1.54567644826109	0.915849846168579	1	0	0	NA	1542962.45234165	2384920.72313566	1.54567644826109	0	773593.162792206	708495.179140306	0.915849846168579	0.592523646976004
M224T687	224	224	224	687.4965	686.943	688.31	30	0	10	3	2	5	0	3	1	2	2	0	2	[31][M]+		7	5.98065881062989	0.156602627935458	1	0	0	NA	2173993.0229446	13001910.5269215	5.98065881062989	0	2651932.23018486	415299.55635369	0.156602627935458	0.0261848456656842
M223.875T302	223.875	223.875	223.875	301.818	301.055	302.504	29	0	4	0	4	3	2	2	4	6	0	1	3	[28][M+1]+		51	1.9047157291666	1.42675814170762	1	0	0	NA	340529.692922781	648612.262358292	1.9047157291666	0	164175.282147799	234238.420471518	1.42675814170762	0.749066183399396
M224.875T266	224.875	224.875	224.875	265.98	265.336	266.969	23	0	4	0	0	3	6	3	4	3	0	0	0			67	3.60162700329031	0.971503674313382	1	0	0	NA	201342.53836011	725160.723068788	3.60162700329031	0	103639.641819202	100686.292831877	0.971503674313382	0.269740223911541
M226.875T338	226.875	226.875	226.875	337.578	336.617	338.288	43	0	6	0	6	6	7	5	7	4	0	0	2	[33][M]+	[M+H]+ 225.872	87	1.34781844146111	0.885442658388359	1	0	0	NA	1033980.85486022	1393618.46429833	1.34781844146111	0	769282.49374388	681155.536312207	0.885442658388359	0.656945053688751
M226.875T439	226.875	226.875	226.875	439.494	438.897	440.279	21	0	2	0	2	4	4	8	0	1	0	0	0	[34][M]+	[M+H]+ 225.868	125	4.70498518775428	1.83506771806455	1	0	0	NA	1708279.54014747	8037429.93293752	4.70498518775428	0	76739.382148585	140821.962885087	1.83506771806455	0.390026247657634
M226.875T317	226.875	226.875	226.875	317.023	316.39	317.901	22	0	2	0	2	5	5	4	2	1	1	0	0	[35][M]+	[M+K+HCOOH]+ 141.91 [M+Na+HCOOH]+ 157.884 [M+H+HCOOH]+ 179.866 [M+H]+ 225.872	99	5.59386118993676	2.01698827525696	1	0	0	NA	890479.678310841	4981219.71293038	5.59386118993676	0	73332.6590447283	147911.113486634	2.01698827525696	0.360571742267306
M233T530	233	233	233	530.246	529.536	530.979	23	0	9	0	0	0	0	0	3	0	8	0	3	[39][M]+	[M+H-H20]+ 250.018	12	3.71408909172293	0.402769422724152	1	0	0	NA	1896843.83678903	7045047.00292001	3.71408909172293	0	2191662.4607447	882734.624120335	0.402769422724152	0.108443662167864
M237T589	237	237	237	588.874	588.253	589.726	33	0	8	0	8	2	0	6	1	7	0	0	1	[48][M]+	[M+H+HCOOH]+ 189.991 [M+H+HCOOH]+ 189.991	76	2.11045405459771	0.571963851140806	1	0	0	NA	559333.394873162	1180447.43108197	2.11045405459771	0	490495.143311133	280545.491134097	0.571963851140806	0.271014595126939
M237T507	237	237	237	506.578	505.491	507.115	25	0	4	0	4	8	1	5	0	3	0	0	0	[49][M]+		6740	1.89216505666628	1.46523642873198	1	0	0	NA	316100.97214907	598115.213878712	1.89216505666628	0	154894.490418062	226957.049970421	1.46523642873198	0.774370303251191
M243T907	243	243	243	906.919	906.014	907.385	21	0	2	1	3	1	3	3	1	2	4	1	0		[M+Na+NaCOOH]+ 152.032	44	5.8555571828022	1.56009223569064	1	0	0	NA	1668460.34496324	9769764.95717016	5.8555571828022	0	75767.978459741	118205.034909017	1.56009223569064	0.266429340024658
M246T512	246	246	246	512.219	511.4	513.04	48	0	7	4	3	4	0	5	2	6	8	8	1	[55][M]+		1510	1.75606769590915	0.86260453473818	1	0	0	NA	1610181.52902641	2827587.76767288	1.75606769590915	0	497309.281652337	428981.241520693	0.86260453473818	0.49121371388339
M246T490	246	246	246.125	490.266	489.461	491.039	21	0	1	6	1	0	0	1	1	2	5	4	0			5293	4.69037689033719	2.44948974278318	1	0	0	NA	336779.92287422	1579624.76737878	4.69037689033719	0	13376.6689371953	32766.0133542662	2.44948974278318	0.522237295648769
M247T433	247	247	247	433.342	432.183	433.957	53	0	7	5	5	6	1	7	7	4	7	0	4	[56][M]+	[M+H]+ 245.995	3	5.96556172953982	0.610625733053818	1	0	0	NA	76819163.160244	458269459.844027	5.96556172953982	0	18123500.1106961	11066675.5405948	0.610625733053818	0.102358463584438
M247T452	247	246.875	247	451.915	450.7	452.781	43	0	7	5	4	2	0	5	7	2	7	1	3	[57][M]+	[M+K]+ 208.039	1	2.56936528520068	0.814673516202426	1	0	0	NA	20693224.8034923	53168453.4489468	2.56936528520068	0	21776486.5450123	17740726.86416	0.814673516202426	0.31707189355086
M247.125T1032	247.125	247.125	247.125	1031.985	1031.08	1032.53	54	0	8	5	6	4	3	7	4	6	3	5	3	[58][M]+	[M+H]+ 246.121	82	1.17929655514867	0.586289727738898	1	0	0	NA	578843.167769289	682627.753721666	1.17929655514867	0	687250.726072277	402928.041077275	0.586289727738898	0.497152073563877
M248T433	248	248	248	433.344	432.883	433.87	21	0	2	4	4	2	1	2	3	1	1	0	1	[56][M+1]+		3	5.43227096588983	1.88239688520125	1	0	0	NA	4209880.04921744	22869209.1612428	5.43227096588983	0	663607.78139869	1249173.22070021	1.88239688520125	0.346521168958829
M249T518	249	249	249	518.477	517.476	519.222	21	0	4	2	0	0	0	0	6	5	1	0	3		[M+K+CF3COOH]+ 76.0392 [M+Na+CF3COOH]+ 92.0131 [M+H+CF3COOH]+ 113.994	109	2.31823419004349	1.21396752716505	1	0	0	NA	172441.570600541	399759.944750974	2.31823419004349	0	103684.334586317	125869.415263505	1.21396752716505	0.523660436197032
M251T497	251	250.986111301659	251.030618888642	497.316	496.644	501.184	47	0	10	0	8	8	8	8	4	1	0	0	0	[59][M]+		60	2.17436148252183	0.119171520171765	1	0	0	NA	785054.058919157	1706991.30741124	2.17436148252183	0	867831.281967992	103420.773124737	0.119171520171765	0.0548075934612075
M258.0991T1014	258.099075244352	258.03777823318	258.187946503497	1013.74	1012.75	1014.62	56	0	5	6	4	4	7	6	3	3	8	7	3		[M+K]+ 219.134	46	1.3373184078157	0.995751274819912	1	0	0	NA	269455.899387975	360348.334346074	1.3373184078157	0	184654.585920801	183870.039331981	0.995751274819912	0.744588027055063
M258.9785T290	258.978458878707	258.930267307112	259	289.688	286.205	293.162	55	0	6	1	8	8	8	6	8	5	1	0	3			115	1.83069158976474	0.947640958947345	1	0	0	NA	958603.492559763	1754907.35174826	1.83069158976474	0	402386.079794745	381317.530523755	0.947640958947345	0.517640963800531
M258.9719T299	258.971895209865	258.875	259	298.655	294.08	299.429	58	0	8	1	8	8	8	8	7	6	0	0	4			2093	0.882584642719328	0.560993680788016	1	0	0	NA	1125640.39568259	993472.926453961	0.882584642719328	0	928988.090511354	521156.448304195	0.560993680788016	0.635625925984324
M261T332	261	260.949658324131	261.006354887013	331.604	330.655	332.32	62	0	10	0	8	8	8	8	8	8	0	0	4	[62][M]+		73	1.1415587719861	0.135585171004753	1	0	0	NA	1219412.5710074	1392031.11710362	1.1415587719861	0	1342725.31856483	182053.641930024	0.135585171004753	0.118771958423884
M260.9747T281	260.974692044432	260.890821292212	261	281.081	278.123	285.313	45	0	5	0	3	2	7	6	8	5	0	0	3			64	3.42315359223167	0.996069055986763	1	0	0	NA	1030376.43930643	3527136.80956269	3.42315359223167	0	325091.604479361	323813.687582979	0.996069055986763	0.290979948503389
M261.0824T907	261.082434158776	261	261.144181210233	906.924	906.024	907.593	77	0	8	6	7	7	8	8	8	8	6	7	4		[M+H-CH4]+ 276.104	44	0.539767670953639	0.570986833093492	1	0	0	NA	797406.374864294	430414.181764084	0.539767670953639	0	601541.129440954	343472.064474972	0.570986833093492	1.05783814744721
M261.0818T733	261.081760869705	261.035108747525	261.125	733.353	732.428	733.821	74	0	9	6	8	6	7	6	5	8	8	7	4			41	0.500827617781177	0.399373584900738	1	0	0	NA	589082.403165357	295028.736654116	0.500827617781177	0	563590.071014118	225082.98707537	0.399373584900738	0.797427239875645
M262.069T907	262.068991100231	262.011919595055	262.143225298083	906.928	906.467	907.392	23	0	1	2	4	2	1	4	2	1	5	0	1			44	4.42746198391399	2.64575131106459	1	0	0	NA	137079.657450907	606914.972131842	4.42746198391399	0	10664.4464341333	28215.4731348863	2.64575131106459	0.597577420354421
M263T324	263	262.964923882551	263.010361123349	323.607	322.662	324.554	67	0	10	8	8	3	1	8	8	7	8	2	4	[63][M]+		32	1.32319397247136	0.150976679370746	1	0	0	NA	3879050.53846496	5132736.29140861	1.32319397247136	0	4211856.95457467	635892.176986268	0.150976679370746	0.114100186753998
M263T318	263	262.96516193031	263	318.24	317.478	318.932	42	0	10	8	2	0	0	0	7	4	7	0	4	[64][M]+		8	3.06570816788018	0.126285954534916	1	0	0	NA	6311928.63118059	19350531.1596871	3.06570816788018	0	10292359.5370653	1299780.44855485	0.126285954534916	0.041193077624945
M263.125T966	263.125	263.084471254232	263.125	966.0445	965.5	966.513	86	0	10	8	8	8	8	8	8	8	8	8	4	[65][M]+	[M+H-H20]+ 280.124	72	0.310544626931304	0.128643293398183	1	0	0	NA	4104314.94242594	1274572.95260424	0.310544626931304	0	3907374.85616193	502657.570037923	0.128643293398183	0.414250585074977
M263.0985T907	263.098497518809	263	263.183245322418	907.383	906.919	907.852	57	0	8	6	5	5	5	4	7	6	8	0	3		[M+H-CH2]+ 276.104	44	0.962440493770067	0.564748635104532	1	0	0	NA	421072.327619092	405257.05890663	0.962440493770067	0	428993.378098721	242273.424750135	0.564748635104532	0.586788106651978
M263.1146T751	263.1145559975	263.058617166971	263.14198645412	751.285	750.539	751.803	42	0	4	3	3	7	6	7	4	1	3	3	1		[M+H-H20]+ 280.119	214	2.43190935737396	1.32077440037408	1	0	0	NA	318321.459802945	774128.93674772	2.43190935737396	0	131453.270544037	173620.114580013	1.32077440037408	0.543101820949566
M264T324	264	263.908977536468	264.01231441989	323.789	322.185	326.298	39	0	7	6	5	1	1	4	3	3	8	1	0	[63][M+1]+		32	1.65380284061686	0.80707810255358	1	0	0	NA	647933.056464353	1071553.52931031	1.65380284061686	0	467743.432112305	377505.481671099	0.80707810255358	0.488013493949824
M263.9896T318	263.989624322984	263.950338375248	264	318.28	317.866	318.932	23	0	10	7	0	0	0	0	3	0	3	0	0	[64][M+1]+		8	3.29341467912074	0.146917383248981	1	0	0	NA	1062879.99517696	3500504.57825959	3.29341467912074	0	1719972.70370998	252693.888888745	0.146917383248981	0.0446094396130535
M264.1101T966	264.11010426281	264	264.163291411057	966.041	965.375	966.534	72	0	9	5	7	8	7	7	7	7	7	6	2	[65][M+1]+		72	0.565269717055994	0.432203565955459	1	0	0	NA	813929.325595999	460089.599583226	0.565269717055994	0	730514.292492019	315730.88219648	0.432203565955459	0.764597063869682
M265.125T1032	265.125	265.125	265.193057548138	1031.97	1031.4	1032.44	85	0	10	7	8	8	8	8	8	8	8	8	4	[66][M]+		82	0.615261725161432	0.12870278124534	1	0	0	NA	2022337.63448775	1244266.94185382	0.615261725161432	0	1960771.89843619	252356.796716442	0.12870278124534	0.209183792818529
M266T228	266	265.931314647981	266.036681486938	227.682	226.876	228.827	31	0	4	0	1	1	1	0	8	5	3	8	0			299	1.83415009177429	1.4836249353011	1	0	0	NA	147773.852500095	271039.425124889	1.83415009177429	0	72116.7761780267	106994.247391249	1.4836249353011	0.808889600668338
M266.125T1032	266.125	266.03940126428	266.205796269564	1031.97	1031.18	1032.92	74	0	10	6	6	7	7	7	7	5	7	8	4	[66][M+1]+		82	0.799371915405185	0.196674701061234	1	0	0	NA	373595.89418492	298642.065522112	0.799371915405185	0	372481.902467329	73257.7668184816	0.196674701061234	0.246036541028019
M270.0917T690	270.091697084731	270.019430012578	270.146328365381	689.835	684.648	690.389	45	0	7	0	6	8	6	8	0	1	1	7	0			166	1.6506023126115	0.749251732444559	1	0	0	NA	565119.825871525	932788.091486146	1.6506023126115	0	193754.420813274	145170.835463138	0.749251732444559	0.453926258748015
M270.9172T296	270.917168711119	270.875	270.988219736535	296.309	295.413	296.84	84	0	10	8	8	8	8	8	6	8	8	8	4	[68][M]+		21	0.853654325655705	0.101569018101259	1	0	0	NA	7872100.47590206	6720052.62325013	0.853654325655705	0	9491473.23322922	964039.616633471	0.101569018101259	0.118981436687786
M270.8818T399	270.881820484272	270.875	270.932632657831	399.449	398.218	400.415	85	0	10	8	8	8	8	8	8	8	7	8	4	[69][M]+		4	1.00536036232347	0.10555800777459	1	0	0	NA	38980057.7641178	39189004.9971233	1.00536036232347	0	47817199.2181884	5047488.28683266	0.10555800777459	0.10499519548457
M270.9182T315	270.918229966052	270.875	270.97910455509	315.112	314.208	316.167	78	0	10	8	8	7	8	7	3	7	8	8	4	[70][M]+		14	1.54485755220737	0.118836083354186	1	0	0	NA	2129208.43961951	3289323.73816989	1.54485755220737	0	3262860.9139814	387745.611547008	0.118836083354186	0.0769236511058165
M271.9012T399	271.901203801499	271.875	271.955346714262	399.328	398.639	400.415	86	0	10	8	8	8	8	8	8	8	8	8	4	[69][M+1]+		4	0.977363109851578	0.0836138302704791	1	0	0	NA	6985894.476804	6827755.55094412	0.977363109851578	0	9134134.59122527	763739.979378422	0.0836138302704791	0.085550425862888
M271.9253T296	271.925289296369	271.875	272	296.309	295.413	297.294	82	0	10	8	7	7	8	7	8	8	7	8	4	[68][M+1]+		21	0.8584714328566	0.124860899407866	1	0	0	NA	1474453.18097841	1265775.93495451	0.8584714328566	0	1801568.00958463	224945.402021176	0.124860899407866	0.145445607889812
M271.9299T315	271.92986356102	271.875	272.011049548552	315.1155	314.669	316.167	24	0	9	7	2	1	0	0	0	0	3	2	0	[70][M+1]+		14	2.6931748359093	0.454357164669043	1	0	0	NA	220237.046926112	593136.872716381	2.6931748359093	0	484544.835338774	220156.417539554	0.454357164669043	0.168706895152478
M272.9259T399	272.925932163691	272.841712074679	272.982493061059	399.0965	398.204	400.415	68	0	6	7	8	7	7	6	5	6	7	6	3	[72][M]+		4	1.48198423184943	0.907428753078115	1	0	0	NA	1487530.44710465	2204496.66700503	1.48198423184943	0	881343.550808426	799756.479343529	0.907428753078115	0.612306618097882
M273.0727T503	273.072676824248	273.01556143176	273.159046043761	503.3395	502.601	504.184	62	0	8	0	4	6	7	7	8	7	4	8	3	[75][M]+		95	0.861473210265424	0.594823294055594	1	0	0	NA	378353.819474264	325941.679478679	0.861473210265424	0	338517.043174396	201357.822714954	0.594823294055594	0.690472189927213
M273.125T994	273.125	273.116354891388	273.173786185274	994.4715	993.937	994.985	26	0	8	3	0	0	0	0	0	0	7	8	0	[76][M]+	[M+H-CH4]+ 288.153	118	2.19497484452061	0.576616211452145	1	0	0	NA	274998.724409375	603615.282353834	2.19497484452061	0	272637.937251098	157207.454475856	0.576616211452145	0.262698323350526
M274.125T729	274.125	274.11186083916	274.161347913892	729.145	728.662	729.638	41	0	10	0	7	8	7	8	1	0	0	0	0	[77][M]+		2872	1.90970776825904	0.132123937599538	1	0	0	NA	1269225.35180787	2423849.5140188	1.90970776825904	0	1287547.06185453	170115.787656936	0.132123937599538	0.0691854218721574
M275.1144T678	275.114406855616	275.058950239319	275.125	677.889	676.519	679.725	82	0	10	6	7	8	8	8	8	8	8	8	3			43	0.399030973951079	0.18086032921923	1	0	0	NA	1346675.61836498	537365.28359235	0.399030973951079	0	1474599.2271304	266696.501685227	0.18086032921923	0.453248847898719
M275.1112T687	275.111218558936	275.028122293342	275.152890912769	687.378	686.505	687.962	67	0	8	6	6	3	6	6	7	6	7	8	4			1159	0.811690518367323	0.577709813798974	1	0	0	NA	642530.549459769	521535.954757841	0.811690518367323	0	623896.930564452	360431.379586141	0.577709813798974	0.711736555653021
M275.1196T490	275.119629217315	275.06396572645	275.125	489.916	488.977	490.951	73	0	10	6	7	5	8	7	5	8	8	5	4			5318	0.715179571438443	0.221358911882729	1	0	0	NA	656964.257072659	469847.415823599	0.715179571438443	0	796247.411275759	176256.460549442	0.221358911882729	0.309515149373617
M275.1164T485	275.11641909659	275.08448870333	275.125	485.089	484.438	486.095	46	0	5	3	3	4	4	7	3	5	5	3	4			195	1.11390362083872	1.2129461789104	1	0	0	NA	378629.298392377	421756.546434892	1.11390362083872	0	324695.843934613	393838.583208576	1.2129461789104	1.08891483627381
M275.1139T716	275.113917871648	275.071111354208	275.129906524327	716.0885	715.487	716.688	50	0	8	4	2	4	8	4	7	4	7	0	2			175	1.12365304509354	0.562690048301123	1	0	0	NA	368142.322160758	413664.241323742	1.12365304509354	0	470311.882677297	264639.815980281	0.562690048301123	0.500768498566461
M275.1094T402	275.109406743415	275.061765495096	275.125	402.426	401.434	403.675	39	0	5	2	4	6	3	7	3	4	1	0	4			7575	1.20124907240509	1.2065306209754	1	0	0	NA	393260.274021428	472403.539382013	1.20124907240509	0	302635.896460529	365139.476085969	1.2065306209754	1.00439671396352
M275.0786T907	275.07855326844	275.032324655293	275.125	906.928	905.573	907.853	34	0	4	2	5	4	4	3	4	3	2	1	2			44	1.57409213056233	1.36337293151854	1	0	0	NA	182691.85757275	287573.81532308	1.57409213056233	0	157814.254069018	215159.682205489	1.36337293151854	0.866132867986249
M275.1031T475	275.103089361586	275.05866474825	275.125	475.289	474.317	476.444	28	0	3	0	0	2	3	5	0	2	7	2	4			8766	2.53547531410218	1.95185618311297	1	0	0	NA	458806.416497093	1163292.34298006	2.53547531410218	0	100912.464530996	196966.617847992	1.95185618311297	0.769818649882666
M275.1069T467	275.106904524531	275.050557867323	275.125	466.897	466.424	467.718	32	0	3	0	1	2	6	4	0	4	5	3	4			355	7.36192686867153	1.56612234626355	1	0	0	NA	30665954.6973956	225760515.840221	7.36192686867153	0	85331.2967698636	133639.25070693	1.56612234626355	0.212732668254032
M276.125T678	276.125	276.090183614018	276.139324595972	677.8875	676.516	679.725	62	0	7	2	8	5	5	5	6	8	6	5	4			43	0.836594519574017	0.800883322466173	1	0	0	NA	725937.931947471	607315.69541815	0.836594519574017	0	531302.854393719	425511.595262603	0.800883322466173	0.957313613378645
M276.125T687	276.125	276.0862319747	276.167373125202	687.301	686.394	687.94	45	0	8	3	3	1	5	2	5	5	5	4	4			1159	1.22077080166622	0.688205235099704	1	0	0	NA	274273.263907557	334824.792256039	1.22077080166622	0	429913.708592606	295868.86489456	0.688205235099704	0.563746474080455
M276.125T787	276.125	276.11475320879	276.148697067125	787.3325	786.887	787.644	28	0	8	0	2	8	2	8	0	0	0	0	0			30	3.90730828277657	0.557763502113201	1	0	0	NA	716152.650640101	2798229.18357846	3.90730828277657	0	625998.576787766	349159.158507024	0.557763502113201	0.142748782984907
M276.125T766	276.125	276.125	276.197879093583	766.3325	766.207	766.829	22	0	8	0	0	8	0	6	0	0	0	0	0			22	6.04321061620826	0.671855151467701	1	0	0	NA	1010362.80345307	6105835.22004952	6.04321061620826	0	540608.954067201	363210.910719615	0.671855151467701	0.111175200425043
M277.074T528	277.074018603078	277.008313725619	277.115635447137	528.137	526.986	529.105	53	0	10	0	6	5	8	6	7	7	1	1	2	[78][M]+		257	0.95187790021693	0.142867524686577	1	0	0	NA	362026.971948722	344605.473880442	0.95187790021693	0	552669.781315688	78958.5636256441	0.142867524686577	0.15009017926986
M277.125T678	277.125	277.107015402301	277.125	677.886	676.238	678.351	86	0	10	8	8	8	8	8	8	8	8	8	4	[79][M]+	[M+H]+ 276.121	43	0.323654199462065	0.103854532405306	1	0	0	NA	5886669.30687603	1905245.24201487	0.323654199462065	0	6036884.11782463	626957.777241697	0.103854532405306	0.32088115209974
M277.125T687	277.125	277.110234691813	277.125	687.3575	686.464	687.81	82	0	9	8	8	8	7	8	6	8	8	8	4	[80][M]+		1166	0.465791950312029	0.419435833791966	1	0	0	NA	3444365.60166059	1604357.77118515	0.465791950312029	0	3067401.68535794	1286578.18347299	0.419435833791966	0.900478923070676
M277.125T759	277.125	277.100716791343	277.125	759.0075	758.441	759.407	84	0	10	8	8	8	8	7	7	8	8	8	4	[81][M]+	[M+H-H20]+ 294.131	90	0.383976673761504	0.115429228524955	1	0	0	NA	2747979.10834898	1055159.87758995	0.383976673761504	0	2794060.50643738	322516.248710112	0.115429228524955	0.300615210278764
M277.125T781	277.125	277.1214036349	277.13877523029	781.0465	780.436	781.72	84	0	10	7	8	8	8	7	8	8	8	8	4	[82][M]+	[M+H-H20]+ 294.134	58	0.650337596122111	0.118754244119673	1	0	0	NA	3399625.08665046	2210904.00656868	0.650337596122111	0	3414944.75605624	405539.183215901	0.118754244119673	0.182603996490117
M277.125T771	277.125	277.114897737968	277.125	770.6735	770.198	771.155	86	0	10	8	8	8	8	8	8	8	8	8	4	[83][M]+	[M+H-H20]+ 294.123	53	0.398122117737576	0.11894635833852	1	0	0	NA	5278214.26697261	2101373.84183983	0.398122117737576	0	5358188.91274834	637337.058461248	0.11894635833852	0.298768526135802
M277.125T765	277.125	277.125	277.134924673297	764.8645	764.078	765.761	76	0	9	5	8	8	7	7	6	8	7	8	3	[84][M]+		71	0.74880406524807	0.40582897808159	1	0	0	NA	2078960.64003828	1556734.17875139	0.74880406524807	0	1813711.98181184	736056.880113034	0.40582897808159	0.541969517683031
M277.125T733	277.125	277.083682196637	277.154646389515	733.354	731.985	734.729	61	0	7	7	7	4	5	4	5	8	7	4	3		[3M+H]+ 92.0345	41	2.27119995779039	0.60414853151037	1	0	0	NA	944922.592920069	2146108.15315524	2.27119995779039	0	571519.588498419	345282.720120731	0.60414853151037	0.266004113569171
M278.125T678	278.125	278.083629074547	278.125	677.886	676.702	678.36	75	0	9	4	7	8	8	8	7	8	6	6	4	[79][M+1]+		2410	0.656180029399568	0.394556978961436	1	0	0	NA	1063207.8299455	697655.745111488	0.656180029399568	0	1084574.14535606	427926.298251367	0.394556978961436	0.601293793294002
M278.125T687	278.125	278.04570343266	278.14067718005	687.352	686.464	687.879	56	0	7	6	3	3	5	5	5	6	5	8	3	[80][M+1]+		1160	1.02895492469746	0.840747619708332	1	0	0	NA	506171.013017464	520827.15658342	1.02895492469746	0	490177.387063912	412115.471408834	0.840747619708332	0.817088872921753
M278.125T771	278.125	278.061801439697	278.125	770.671	770.197	771.155	66	0	6	4	4	6	7	5	7	8	8	8	3	[83][M+1]+		53	1.07503165584119	1.09872217377479	1	0	0	NA	880289.096678065	946338.645220764	1.07503165584119	0	648762.711449136	712809.976587421	1.09872217377479	1.02203704216976
M278.1144T759	278.11436200326	278.073290377091	278.147009645522	759.011	758.153	759.456	53	0	7	3	5	2	6	2	4	6	7	7	4	[81][M+1]+		90	3.85797646870904	0.635228555901129	1	0	0	NA	680745.085775664	2626298.52211183	3.85797646870904	0	409124.8384037	259887.780282465	0.635228555901129	0.16465329974231
M278.118T781	278.118041039424	278.069180529202	278.14302042226	781.067	780.436	781.569	57	0	8	0	4	3	8	6	8	4	5	8	3	[82][M+1]+		58	1.22074061882594	0.649770173719727	1	0	0	NA	602384.131690569	735354.777690871	1.22074061882594	0	546698.835134358	355228.597077624	0.649770173719727	0.532275377503741
M278.1591T849	278.159127255684	278.125	278.200056883984	849.0095	848.457	849.6	32	0	10	0	2	8	3	8	0	0	1	0	0			31	4.43443171008453	0.134631717308596	1	0	0	NA	493029.115410559	2186303.94337151	4.43443171008453	0	560607.61024871	75475.5653040521	0.134631717308596	0.0303605345871996
M278.125T765	278.125	278.084751172923	278.125	764.6755	764.136	765.349	22	0	3	0	1	1	1	2	4	0	1	6	3	[84][M+1]+		71	3.05051543007585	1.41428097356183	1	0	0	NA	228894.206656309	698245.309260041	3.05051543007585	0	105938.215314192	149826.402291958	1.41428097356183	0.463620331048994
M279T282	279	278.971761038289	279.029074120693	281.683	275.781	282.159	33	0	7	4	2	4	1	0	8	4	0	0	3	[85][M]+	[M+H+HCOOH]+ 231.991 [M+H+HCOOH]+ 231.991	64	2.0636069655348	0.787705781653817	1	0	0	NA	676356.38257896	1395733.74227386	2.0636069655348	0	545117.309048225	429392.056016857	0.787705781653817	0.381713085296588
M279.125T907	279.125	279.125	279.125	906.925	906.461	907.392	86	0	10	8	8	8	8	8	8	8	8	8	4	[86][M]+	[M+H-CO2]+ 322.109	44	0.316362389851307	0.13421448500551	1	0	0	NA	7752326.32417388	2452544.48282285	0.316362389851307	0	7666991.77123448	1029021.35211772	0.13421448500551	0.424242859805781
M279.125T733	279.125	279.125	279.125	733.354	732.436	733.809	86	0	10	8	8	8	8	8	8	8	8	8	4	[87][M]+	[M+Na+NH3]+ 239.119	41	0.268239338021338	0.118638974594947	1	0	0	NA	8564432.42225787	2297317.68347493	0.268239338021338	0	8730694.0956281	1035800.59500748	0.118638974594947	0.442287754920979
M279.125T746	279.125	279.109544606006	279.15914091979	746.178	745.621	746.957	44	0	4	0	6	2	4	6	4	5	2	8	3			201	1.47254157848032	1.72634484404525	1	0	0	NA	832500.21064233	1225891.17426446	1.47254157848032	0	288560.434761677	498154.818746278	1.72634484404525	1.17235728299561
M279.1173T619	279.11730359664	279.078911540978	279.138647999707	619.22	618.466	620.444	27	0	1	0	5	3	6	3	3	3	0	1	2			272	6.38509271148988	2.44948974278318	1	0	0	NA	648491.293986019	4140677.03469477	6.38509271148988	0	23725.4187863547	58115.1699604111	2.44948974278318	0.383626339266047
M280.125T907	280.125	280.063062588392	280.158437873997	906.9235	906.461	907.391	80	0	7	8	8	7	8	6	8	8	8	8	4	[86][M+1]+		44	0.652690505320518	0.98560155259205	0	0	0	NA	2201930.30247316	1437179.00180177	0.652690505320518	0	1038724.2379733	1023768.22166148	0.98560155259205	1.51005958345916
M280.125T733	280.125	280.078321735571	280.170390806052	733.353	732.436	733.823	84	0	10	8	8	8	8	8	7	8	7	8	4	[87][M+1]+		41	0.330075562982662	0.127908680516637	1	0	0	NA	1767134.47159718	583287.905578508	0.330075562982662	0	1839464.98345099	235283.538889773	0.127908680516637	0.387513329859429
M280.1743T877	280.174317922044	280.125	280.25	876.9055	876.782	877.436	28	0	2	5	3	4	3	3	2	1	1	4	0			231	2.27730719908899	2.01026207161004	1	0	0	NA	168345.438431479	383374.2788738	2.27730719908899	0	43774.2786372172	87997.7720564876	2.01026207161004	0.882736449616559
M281.125T966	281.125	281.108679529577	281.172879631841	966.0305	965.204	966.545	84	0	9	8	7	8	8	8	8	8	8	8	4		[M+H]+ 280.124	72	0.357549845657599	0.398021906222807	1	0	0	NA	1210782.07250353	432914.943148624	0.357549845657599	0	1106207.12949903	440294.670360463	0.398021906222807	1.11319277873208
M281.125T751	281.125	281.125	281.192552035835	751.284	750.512	752.076	72	0	9	7	6	8	8	8	8	5	5	5	3	[88][M]+	[M+Na+NaCOOH]+ 190.157 [M+K+NH3]+ 225.135 [M+Na+NH3]+ 241.109 [M+H+NH3]+ 263.09 [M+H]+ 280.119	214	0.644826947901946	0.414353118422786	1	0	0	NA	526761.348100229	339669.912368185	0.644826947901946	0	517319.928404179	214353.125556524	0.414353118422786	0.642580338447323
M281.1154T907	281.115357580779	281.051941099957	281.160481337468	906.923	906.022	907.385	22	0	1	0	2	0	3	5	3	4	4	0	0	[86][M+2]+		44	3.96101549664323	2.44948974278318	1	0	0	NA	441696.856666283	1749568.09407375	3.96101549664323	0	17408.1242397465	42641.0217663543	2.44948974278318	0.618399434402366
M282.1752T966	282.17518689143	282.125	282.231758940146	965.647	959.789	966.534	35	0	1	2	4	4	4	6	3	3	2	3	0			72	2.84358948680258	2.44948974278318	1	0	0	NA	944606.736293332	2686073.78448662	2.84358948680258	0	40199.0819348168	98467.2388686344	2.44948974278318	0.861407651896145
M282.125T725	282.125	282.093569599707	282.14576940089	725.439	719.777	725.953	25	0	2	0	0	8	4	7	1	1	0	0	0			171	2.53009016826955	1.95203867135942	1	0	0	NA	164289.181166477	415666.442022358	2.53009016826955	0	28427.4563094763	55491.4940444781	1.95203867135942	0.771529290078429
M283.1513T1032	283.151349047168	283.125	283.218934974316	1031.965	1031.39	1032.48	74	0	8	6	7	8	6	8	6	7	7	7	4		[M+Na]+ 260.165	82	0.702754209802511	0.612035152770813	1	0	0	NA	907306.699777017	637613.602850322	0.702754209802511	0	741657.867890452	453920.686478008	0.612035152770813	0.87090926562049
M284.9941T526	284.994077339517	284.930547069444	285.035765922312	525.53	524.644	526.351	43	0	8	5	4	0	0	4	2	5	3	8	4			1742	2.24329956031138	0.577265359791375	1	0	0	NA	1257531.47686446	2821019.80912776	2.24329956031138	0	1051092.02369463	606759.015231923	0.577265359791375	0.257328700100689
M285T337	285	284.976497937046	285.038542741566	337.402	330.714	338.069	31	0	1	0	4	2	6	6	3	2	0	6	0		[M+K]+ 246.035 [2M+Na+2K]3+ 377.037	87	2.98310161699523	2.64575131106459	1	0	0	NA	389819.6600038	1162871.65809387	2.98310161699523	0	21845.7012238184	57798.2926540429	2.64575131106459	0.886912901656215
M285T317	285	284.962468677462	285.068492362489	317.064	316.072	317.901	27	0	1	0	1	5	6	6	5	2	0	0	1		[M+K]+ 246.04 [M+Na]+ 262.014	99	2.88931284844764	2.64575131106459	1	0	0	NA	499212.961650212	1442382.42420756	2.88931284844764	0	18607.0790381103	49229.7037601627	2.64575131106459	0.915702608143001
M285.2266T1030	285.226591203974	285.177768299631	285.277967126831	1029.675	1028.9	1031.06	26	0	1	3	2	4	3	5	2	4	1	1	0			52	5.06077529735533	2.44948974278318	1	0	0	NA	6232873.88357729	31543174.1815391	5.06077529735533	0	51731.6769441883	126716.212051762	2.44948974278318	0.484014720839954
M286.125T774	286.125	286.125	286.168071246639	773.935	773.472	774.43	50	0	10	0	8	8	8	8	2	2	0	0	4	[89][M]+	[M+H-CH4]+ 301.153	5	4.35109860233572	0.157538604295025	1	0	0	NA	4655676.63414732	20257308.0957655	4.35109860233572	0	6548913.08751473	1031706.6274565	0.157538604295025	0.0362066270367803
M286.961T355	286.960989362051	286.875	287	355.32	354.27	355.775	86	0	10	8	8	8	8	8	8	8	8	8	4			9	0.334849718212061	0.0950913176285399	1	0	0	NA	41130863.0689985	13772657.908473	0.334849718212061	0	43664298.0376769	4152095.63372796	0.0950913176285399	0.283982074514748
M286.9892T280	286.98915463595	286.914243160367	287	279.8345	278.787	280.816	86	0	10	8	8	8	8	8	8	8	8	8	4			35	0.255947641681716	0.0919428825053089	1	0	0	NA	8750238.00509215	2239602.78155706	0.255947641681716	0	9213084.8889636	847077.581457418	0.0919428825053089	0.359225355237476
M286.9842T294	286.984159486602	286.91969383477	287.003767740674	294.499	290.412	297.036	83	0	10	8	7	8	7	8	5	8	7	7	4			55	0.52950221027002	0.0954820002844234	1	0	0	NA	2358472.45470889	1248816.37762932	0.52950221027002	0	2582978.79458346	246627.981999077	0.0954820002844234	0.180324082567535
M287.125T774	287.125	287.095236286113	287.157104215179	773.963	773.45	774.389	31	0	10	0	1	8	4	8	0	0	0	0	0	[89][M+1]+		5	4.54722817410439	0.134405980814655	1	0	0	NA	992875.322713206	4514830.64081447	4.54722817410439	0	1459729.27327063	196196.344697802	0.134405980814655	0.0295577823826989
M287.1927T1032	287.192708880352	287.142349398032	287.261416908674	1032.495	1031.87	1032.89	26	0	6	0	0	0	0	2	2	2	8	6	0	[90][M]+		82	2.21683500014997	0.981605855332986	1	0	0	NA	192405.853871119	426532.031095237	2.21683500014997	0	164225.682167076	161204.891211256	0.981605855332986	0.442796083274841
M287.9435T355	287.943487395885	287.875	288	355.319	354.296	355.803	86	0	10	8	8	8	8	8	8	8	8	8	4	[91][M]+		9	0.34411006324815	0.0963525567208318	1	0	0	NA	7090890.75897329	2440046.86755603	0.34411006324815	0	7825324.38514994	753990.011679068	0.0963525567208318	0.28000505364863
M287.9537T280	287.953733519157	287.890375386231	288.002550828967	279.8995	278.787	280.382	82	0	9	7	7	8	8	8	8	8	8	7	4		[M+Na]+ 264.968 [M+H-C6H8O6]+ 462.971 [M+3Na-H]2+ 507.954	35	0.40005123233441	0.407370445705893	1	0	0	NA	1486384.99667579	594630.149643526	0.40005123233441	0	1425865.46647471	580855.450594443	0.407370445705893	1.01829569010142
M287.9478T294	287.947791614311	287.918498616562	288.002147844069	294.2795	293.669	295.859	22	0	2	3	3	4	1	3	0	1	5	0	0			55	3.95299791233216	1.98291988102198	1	0	0	NA	560016.082058333	2213742.40324903	3.95299791233216	0	55308.890963286	109673.099488376	1.98291988102198	0.501624317795833
M288.9463T355	288.946285405267	288.860644812669	288.997890042446	354.881	353.996	355.771	67	0	6	7	6	6	7	8	8	8	4	5	2	[91][M+1]+		9	1.12797028620221	1.2876417862677	1	0	0	NA	2508973.81921623	2830047.91693518	1.12797028620221	0	959446.327075297	1235423.18242322	1.2876417862677	1.14155647716847
M289.0124T594	289.012379367936	289	289.079834236509	593.8	592.956	595.705	41	0	9	0	5	6	2	5	6	8	0	0	0	[93][M]+		4568	2.38674949354248	0.417985756651209	1	0	0	NA	309050.459138366	737626.026827566	2.38674949354248	0	302180.923875498	126307.322111662	0.417985756651209	0.175127619292305
M289.1105T550	289.110489238458	289.044286227775	289.137647271479	549.725	548.739	551.535	71	0	8	5	6	5	8	6	7	8	8	7	3		[M+H-H20]+ 306.115	209	0.785082816437075	0.568561626910518	1	0	0	NA	539661.970452015	423679.33968645	0.785082816437075	0	466884.232742109	265452.458946723	0.568561626910518	0.724205924530114
M289.1126T573	289.112557661987	289.071429330067	289.130509869888	573.464	572.392	574.669	57	0	9	1	6	4	5	4	7	7	5	5	4		[M+H-H20]+ 306.131	9793	0.879131779909003	0.416295710611568	1	0	0	NA	257335.090923349	226231.456516489	0.879131779909003	0	311540.034463116	129692.780030775	0.416295710611568	0.473530499209866
M291.0721T518	291.072078094521	291.030071354888	291.114278603453	518.2185	517.531	518.943	28	0	6	2	0	0	0	0	8	7	1	0	4	[94][M]+		109	2.27276726993179	1.29980544776357	1	0	0	NA	892829.220176582	2029193.02925606	2.27276726993179	0	376313.05477065	489133.758655442	1.29980544776357	0.571904332203174
M291.125T503	291.125	291.125	291.13385696639	503.414	502.601	504.184	83	0	10	5	8	8	8	8	8	8	8	8	4	[95][M]+	[M+H-H20]+ 308.138	95	0.51552580905204	0.133904285800646	1	0	0	NA	2037646.45760731	1050459.33862003	0.51552580905204	0	2088905.40480627	279713.386335692	0.133904285800646	0.259743127210007
M292.125T503	292.125	292.082000772282	292.186676821276	503.41	502.507	504.306	67	0	10	0	6	6	8	6	7	7	6	7	4	[95][M+1]+		95	0.739542127059765	0.14574079172802	1	0	0	NA	360279.282468754	266441.706892508	0.739542127059765	0	414664.286829107	60433.5014638086	0.14574079172802	0.197068951714013
M293T256	293	292.988436284035	293.052990224994	255.661	254.776	256.342	25	0	3	3	3	4	4	4	0	1	3	0	0			161	1.73929871375239	1.70014056520563	1	0	0	NA	170068.590065926	295800.079951347	1.73929871375239	0	83059.4664218799	141212.768188173	1.70014056520563	0.977486243025918
M295.1382T759	295.138154665926	295.125	295.186740659626	758.978	758.344	759.505	82	0	10	7	8	8	8	7	8	7	7	8	4	[96][M]+	[M+H]+ 294.131	90	0.426720735658868	0.149119682142232	1	0	0	NA	806942.573119807	344339.128436144	0.426720735658868	0	848858.472321576	126581.505576334	0.149119682142232	0.349454970619103
M295.1414T781	295.141412842809	295.125	295.193444135354	781.048	780.436	781.638	81	0	10	6	8	8	8	6	8	7	8	8	4	[97][M]+	[M+H]+ 294.134	58	0.690768438224715	0.131525236917724	1	0	0	NA	1409069.51576432	973340.748754572	0.690768438224715	0	1410880.3440363	185566.371511933	0.131525236917724	0.190404236267288
M295.1404T765	295.1404272318	295.125	295.207672096286	764.857	764.34	765.354	75	0	9	4	8	8	7	7	8	6	6	8	4	[98][M]+		3333	0.659471961868506	0.419772027417578	1	0	0	NA	817604.273645785	539187.094373261	0.659471961868506	0	809624.283859735	339857.627082306	0.419772027417578	0.636527482121034
M295.1271T771	295.127108900829	295.125	295.197520177312	770.673	770.198	771.155	84	0	10	8	8	8	8	6	8	8	8	8	4	[99][M]+	[M+H]+ 294.123	53	0.427026782498286	0.144338548569782	1	0	0	NA	1676951.06802135	716103.01898422	0.427026782498286	0	1726484.58762169	249198.279505413	0.144338548569782	0.338008187040028
M295.1567T431	295.156653396599	295.081882487052	295.195961740292	430.5075	429.799	432.167	30	0	1	0	2	3	5	4	1	5	0	7	2	[100][M]+	[M+H]+ 294.145	145	3.05138540931238	2.44948974278318	1	0	0	NA	786530.546149639	2400007.8324995	3.05138540931238	0	40288.9875957095	98687.4618628091	2.44948974278318	0.802746757360672
M296.1515T781	296.151473577564	296.121250204308	296.209850128818	781.0205	780.365	781.541	44	0	4	0	4	3	4	6	7	7	1	6	2	[97][M+1]+		58	1.19555025648738	1.343413506387	1	0	0	NA	205940.829204643	246212.611176836	1.19555025648738	0	129939.519492619	174562.505499821	1.343413506387	1.12367798768582
M296.1452T771	296.145206968499	296.107067142411	296.191767982661	770.673	769.782	771.567	33	0	5	2	2	2	2	2	4	4	3	6	1	[99][M+1]+		53	1.52013875385124	1.27751077099138	1	0	0	NA	196134.665804427	298151.906462971	1.52013875385124	0	207712.712951183	265355.228066977	1.27751077099138	0.840390897051231
M297.1638T421	297.163776482137	297.125	297.215478052816	420.996	420.165	422.561	43	0	4	0	0	7	8	4	8	3	1	8	0			330	1.90700091275094	1.41993044159709	1	0	0	NA	158055.15920756	301411.332873813	1.90700091275094	0	72386.8032589523	102784.225517286	1.41993044159709	0.744588233861286
M298.2063T548	298.206325906808	298.143301072289	298.278759870206	548.4405	547.269	549.68	28	0	6	1	0	3	1	2	6	3	0	6	0			3301	1.69577154670423	0.896136098280082	1	0	0	NA	87414.980318124	148235.836379185	1.69577154670423	0	124138.923482179	111245.37053401	0.896136098280082	0.528453316734641
M300.25T877	300.25	300.191551995457	300.281178307359	876.878	875.818	877.885	47	0	7	2	7	5	2	7	5	4	0	8	0		[M+K]+ 261.279	231	1.22385403658796	0.821772526279021	1	0	0	NA	140323.95929323	171736.044011023	1.22385403658796	0	156411.559857922	128534.722683687	0.821772526279021	0.671462855627851
M301T412	301	301	301	412.4095	411.507	413.473	86	0	10	8	8	8	8	8	8	8	8	8	4	[102][M]+		40	0.406680078517344	0.117553618418226	1	0	0	NA	6738833.25059769	2740549.23546836	0.406680078517344	0	6992643.43246904	822010.537795177	0.117553618418226	0.289056741718938
M301T301	301	300.943677433424	301.036619890038	301.374	300.547	302.891	67	0	6	2	6	8	8	8	8	8	8	2	3			51	3.18351582761286	0.996331118857827	1	0	0	NA	1623894.23928619	5169693.01313693	3.18351582761286	0	631937.984639321	629619.479284455	0.996331118857827	0.31296565583747
M301.0121T266	301.012098775643	300.985016432005	301.054257769908	266.0195	265.336	266.8	32	0	7	0	0	4	7	6	4	4	0	0	0		[M+Na]+ 278.024	67	1.56240143063768	0.746281994692142	1	0	0	NA	201017.334734305	314069.771371852	1.56240143063768	0	231285.646743249	172604.313795214	0.746281994692142	0.477650608901167
M301.0065T279	301.006531750937	300.94959010329	301.073879953127	279.4685	278.117	282.594	54	0	5	0	6	4	7	6	8	7	0	0	4		[M+K]+ 262.04	35	2.00247463774935	0.975466713285259	1	0	0	NA	738480.272240124	1478788.01563908	2.00247463774935	0	381428.324110541	372070.633674014	0.975466713285259	0.487130620731168
M301.1395T907	301.13949177574	301.115089737152	301.187293110166	906.92	906.014	907.39	27	0	2	0	4	3	3	2	4	3	4	2	0			44	1.68627934895192	2.01536380491445	1	0	0	NA	80627.2663950478	135960.094284414	1.68627934895192	0	50176.7706519958	101124.447419526	2.01536380491445	1.1951541754734
M301.1359T733	301.13594385345	301.08753607609	301.195230160073	732.908	732.443	734.712	25	0	2	1	3	1	2	2	0	3	2	7	2		[M+3Na-H]2+ 534.321	41	2.50316800146459	2.01793645265435	1	0	0	NA	105078.155700889	263028.277003379	2.50316800146459	0	37553.9246209209	75781.4334327899	2.01793645265435	0.806153023478114
M302T412	302	301.954434206299	302.026092581233	412.4025	411.129	413.931	82	0	10	6	7	8	8	8	8	8	8	7	4	[102][M+1]+		40	0.50318317488014	0.133217976343923	1	0	0	NA	1202754.46266223	605205.809123639	0.50318317488014	0	1276824.73926562	170096.007910823	0.133217976343923	0.264750458668766
M303T279	303	302.980872958769	303.027247130136	278.589	275.832	279.891	85	0	10	7	8	8	8	8	8	8	8	8	4	[104][M]+		49	0.601766069186107	0.0759095099050345	1	0	0	NA	5416680.63370728	3259574.61298254	0.601766069186107	0	5745591.12747993	436145.006601716	0.0759095099050345	0.126144549837618
M303T265	303	302.981151899945	303.004633971622	265.4	264.724	269.103	93	0	10	8	8	8	8	8	8	8	8	8	4	[105][M]+	[M+H]+ 301.996	67	0.49285700480478	0.102563824101027	1	0	0	NA	4046425.27723725	1994309.0423055	0.49285700480478	0	4611605.24415215	472983.869084593	0.102563824101027	0.208100570959019
M303T299	303	302.957231678709	303.016110670669	299.112	294.514	300.062	75	0	10	5	8	6	8	7	8	8	4	6	4			92	0.894680449513861	0.138239342607471	1	0	0	NA	1301305.56838953	1164252.65088163	0.894680449513861	0	1307687.08414393	180773.802848337	0.138239342607471	0.154512533142515
M303T358	303	302.937488151982	303.02394234478	357.996	357.002	358.509	79	0	10	6	8	8	8	8	8	8	4	7	4			4279	0.670971440163259	0.119510364159047	1	0	0	NA	1834188.99733152	1230688.43307113	0.670971440163259	0	1914276.69381463	228775.904778962	0.119510364159047	0.178115426388294
M303T271	303	303	303.003286653532	271.411	269.146	272.164	32	0	9	7	0	0	0	1	2	0	4	8	1	[106][M]+		37	3.13085286435131	0.407308580394179	1	0	0	NA	971299.805801811	3040996.77913847	3.13085286435131	0	1950247.29010028	794352.455148339	0.407308580394179	0.130095088476338
M303.9855T279	303.98547487339	303.916703066643	304.02099818537	278.6505	276.442	279.475	64	0	10	2	8	7	8	8	8	7	1	1	4	[104][M+1]+		49	0.784727225364623	0.129707048368384	1	0	0	NA	862928.839767082	677163.754117535	0.784727225364623	0	965564.496968596	125240.5209111	0.129707048368384	0.165289344087833
M304T265	304	303.938474187039	304.031787129706	265.32	264.722	269.103	62	0	8	7	5	7	7	8	2	6	7	2	3	[105][M+1]+		67	0.816668685737816	0.62877336420329	1	0	0	NA	619715.940107015	506102.602337971	0.816668685737816	0	621575.399727905	390830.055192919	0.62877336420329	0.769924664902789
M303.9675T358	303.967507857603	303.909450140219	304.045574398304	357.998	357.018	358.124	35	0	4	1	4	3	2	5	4	6	0	2	4			4281	2.96134172339449	1.28522217565347	1	0	0	NA	284453.315696119	842363.472128823	2.96134172339449	0	147846.551886033	190015.667077831	1.28522217565347	0.433999955324394
M303.9778T299	303.97776844269	303.933473590964	304.041291982524	299.126	298.568	299.916	27	0	2	6	4	0	2	0	4	5	4	0	0			92	3.79079144991204	1.83083938421452	1	0	0	NA	974365.319546418	3693615.72242738	3.79079144991204	0	34599.8743819518	63346.8127073524	1.83083938421452	0.482970220969819
M305.0812T443	305.081195956548	305	305.116170762949	443.158	442.705	443.948	23	0	10	8	0	0	1	0	1	0	3	0	0			18	3.38180543057479	0.110897957174278	1	0	0	NA	1792517.44670433	6061945.23566478	3.38180543057479	0	2281473.90594257	253010.795515451	0.110897957174278	0.032792530336504
M305.0749T458	305.074883176865	305.036620805577	305.125	457.9585	457.182	458.64	40	0	9	7	4	0	1	4	4	2	8	0	1	[108][M]+		78	1.94112931429474	0.411819187537099	1	0	0	NA	730597.24852526	1418183.73605547	1.94112931429474	0	692013.516245764	284984.444025021	0.411819187537099	0.212154432218609
M306.25T701	306.25	306.203282951742	306.296001029491	701.2635	699.677	702.894	56	0	8	5	6	7	2	6	4	6	5	5	2			341	0.861340072198223	0.568092252943499	1	0	0	NA	188650.209874472	162491.985393487	0.861340072198223	0	235533.92858881	133805.00013665	0.568092252943499	0.659544669149866
M307.125T549	307.125	307.089085497835	307.171248604326	549.4	548.648	550.513	21	0	1	0	0	0	4	0	3	5	2	5	1		[M+K+NH3]+ 251.126 [M+Na+NH3]+ 267.1 [M+H+NH3]+ 289.081 [M+H]+ 306.115	209	2.19743252677048	2.64575131106459	1	0	0	NA	54217.8176071069	119139.995940366	2.19743252677048	0	8556.47370849411	22638.301532338	2.64575131106459	1.20401936297585
M308.1937T349	308.19371569469	308.132499645651	308.242243443381	349.2555	348.375	350.105	50	0	6	1	2	6	4	8	7	4	2	8	2			178	1.45547761205239	0.90909803835903	1	0	0	NA	317642.791330845	462321.971411874	1.45547761205239	0	167612.004815532	152375.744783225	0.90909803835903	0.624604618326693
M309.1475T503	309.147450284555	309.112192294934	309.203564429647	503.419	503.068	504.176	23	0	1	0	0	2	3	1	4	3	1	7	1		[M+H]+ 308.138	95	3.58745760529631	2.23606797749979	1	0	0	NA	278418.103676017	998813.143484703	3.58745760529631	0	17922.6156417506	40076.1869095553	2.23606797749979	0.623301575522062
M309.2582T1062	309.258192012308	309.225287458058	309.314044084228	1062.41	1061.87	1062.98	66	0	9	0	7	6	8	4	7	6	8	8	3		[M+K]+ 270.29	246	0.794957399088617	0.447876544550568	1	0	0	NA	318511.478134858	253203.056237958	0.794957399088617	0	335657.695302694	150333.208723978	0.447876544550568	0.563396912921421
M310.1069T206	310.106939367327	310.069686090569	310.125	205.663	204.661	208.279	73	0	9	2	8	7	8	6	7	7	8	7	4		[M+H-H20]+ 327.117	112	1.1493639506536	0.402952317214044	1	0	0	NA	967002.276355612	1111437.55664311	1.1493639506536	0	995649.002636181	401199.072744101	0.402952317214044	0.35058722433821
M311.1585T453	311.158541671946	311.087574429839	311.209301166069	452.8795	451.956	453.69	30	0	1	0	2	2	2	2	6	6	0	7	2			7068	1.73570795134588	2.64575131106459	0	0	0	NA	101742.050099982	176594.48534477	1.73570795134588	0	15689.037946979	41509.2927175618	2.64575131106459	1.52430672971974
M311.1044T334	311.104398606696	311.05530421946	311.125	333.556	333.15	334.23	21	0	1	1	3	2	0	2	6	4	0	0	2			7362	2.48434274200801	2	1	0	0	NA	197476.263491021	490598.72192278	2.48434274200801	0	12246.6700600441	24493.3401200881	2	0.805041899485844
M315.0371T545	315.037147382707	315	315.1074899936	545.1675	544.196	546.442	74	0	10	4	8	5	3	8	8	8	8	8	4	[113][M]+	[M+K]+ 276.068	33	1.37855953148318	0.133726302081478	1	0	0	NA	3230494.58289441	4453429.09865387	1.37855953148318	0	3390460.1286552	453393.695359752	0.133726302081478	0.0970043723375535
M315.0515T480	315.051456892954	315	315.091419011474	479.933	479.127	480.525	41	0	10	4	8	3	0	3	4	3	2	0	4	[114][M]+		81	2.05315942359162	0.10213171047223	1	0	0	NA	601224.679695296	1234410.11681225	2.05315942359162	0	706383.691291459	72144.1746412846	0.10213171047223	0.0497436824918203
M315.057T565	315.056951915217	315	315.110384757562	564.952	564.216	565.78	32	0	6	8	0	0	0	1	0	3	2	8	4			227	1.63452717470836	0.921428372928016	1	0	0	NA	218550.619170964	357226.926084277	1.63452717470836	0	170014.90895154	156656.560928722	0.921428372928016	0.563727778397091
M316.25T548	316.25	316.25	316.293434525981	548.469	547.161	550.516	81	0	10	8	7	8	8	8	8	8	8	8	0	[115][M]+		3302	0.580909739068667	0.110776720187175	1	0	0	NA	2948571.50487435	1712853.90352187	0.580909739068667	0	3148123.61288551	348738.808579257	0.110776720187175	0.190695236689913
M317.0076T375	317.007628157189	316.95459121922	317.079276354793	374.948	374.421	375.448	63	0	10	4	6	7	7	5	8	7	2	3	4	[116][M]+	[M+H]+ 316.002	75	1.34546222085352	0.118291858519008	1	0	0	NA	1360230.52105743	1830138.77773466	1.34546222085352	0	1451470.77872634	171697.176001571	0.118291858519008	0.0879191230237349
M317.0651T256	317.065122819109	317.008972961467	317.124944366544	255.723	255.092	262.412	43	0	8	0	4	6	8	6	5	5	0	0	0			161	1.33380974495147	0.576850422464224	1	0	0	NA	326355.673745756	435296.377962291	1.33380974495147	0	309664.607054282	178630.15940148	0.576850422464224	0.432483286801307
M317.0263T420	317.026281400318	316.990833542793	317.096320175263	419.524	418.872	421.108	46	0	6	6	4	2	5	2	3	4	4	7	3			10814	1.15132268373731	0.996030592540805	1	0	0	NA	209240.715272956	240903.581855175	1.15132268373731	0	161405.869763199	160765.184099803	0.996030592540805	0.865118534195458
M317.0695T249	317.069514664975	317.02982146007	317.101828640193	248.541	247.538	249.097	25	0	4	0	3	3	6	6	1	2	0	0	0			7224	2.60340865582618	1.64828392183762	1	0	0	NA	357584.005400787	930937.294845405	2.60340865582618	0	105907.902705719	174566.293225379	1.64828392183762	0.633125313672488
M317.0223T296	317.022335218173	316.990607209409	317.08059886867	295.7965	294.213	296.33	28	0	3	0	3	4	8	3	1	6	0	0	0	[117][M]+		21	7.24666496069701	1.46672504819382	1	0	0	NA	3184807.62678633	23079233.8355931	7.24666496069701	0	106647.423935641	156422.44801175	1.46672504819382	0.202400008300197
M317.0225T290	317.022511962871	317	317.072617460931	289.536	288.99	293.412	30	0	6	0	1	4	1	1	7	6	0	0	4		[M+K]+ 278.051	115	2.34445642198547	1.04365007820955	1	0	0	NA	643236.5292623	1508040.01188464	2.34445642198547	0	188371.486626281	196593.916749966	1.04365007820955	0.445156526870183
M317.1959T781	317.195926291873	317.143398327233	317.240864922808	781.0085	780.289	781.527	48	0	8	0	3	5	7	4	6	5	0	8	2			58	1.14243094042972	0.562952471104358	1	0	0	NA	259935.400027263	296958.243504122	1.14243094042972	0	291195.184153493	163929.048492897	0.562952471104358	0.492767178462975
M317.25T548	317.25	317.220912117365	317.309230710232	548.498	547.161	550.516	75	0	9	6	8	8	8	8	8	7	6	7	0	[115][M+1]+		70	0.717924242160311	0.420774722631122	1	0	0	NA	660000.115772065	473830.082941377	0.717924242160311	0	644592.825559504	271228.367384811	0.420774722631122	0.586099058815685
M317.1893T771	317.189313260554	317.135568072074	317.25	770.671	770.195	771.6	65	0	9	3	8	3	8	5	6	7	4	8	4	[118][M]+		53	0.779689358743822	0.428947709316291	1	0	0	NA	490931.524886188	382774.085825639	0.779689358743822	0	488843.292080601	209688.210352608	0.428947709316291	0.550152063133682
M317.1844T759	317.184422161721	317.125	317.257040936616	759.0265	758.344	764.556	46	0	5	4	5	1	4	1	5	5	6	7	2			90	1.17373045704402	1.39151281412308	1	0	0	NA	247325.179568359	290293.096053265	1.17373045704402	0	170220.156487245	236863.528974038	1.39151281412308	1.18554716355196
M318.0192T375	318.019230885555	318	318.091544396089	374.9095	374.45	375.448	36	0	6	0	1	5	3	1	8	7	0	1	4	[116][M+1]+		75	1.89965427782084	1.14295342251697	1	0	0	NA	289863.125965731	550639.727223322	1.89965427782084	0	172282.592958206	196910.979261679	1.14295342251697	0.601663911092334
M318.2956T578	318.295637968707	318.25	318.344678165371	578.461	577.234	581.29	81	0	10	6	6	8	8	8	8	8	7	8	4	[119][M]+		245	0.444045042480458	0.134826240496371	1	0	0	NA	484316.968132931	215058.548688594	0.444045042480458	0	512544.484212508	69104.4458935241	0.134826240496371	0.303631901266649
M319.205T733	319.205002584101	319.125	319.293961360405	732.905	731.991	733.817	66	0	10	3	6	3	7	4	7	7	7	8	4	[121][M]+		41	0.659620110764885	0.129586231621914	1	0	0	NA	331301.607825253	218533.203250278	0.659620110764885	0	411066.253881051	53268.5267873824	0.129586231621914	0.196455853160159
M322.125T234	322.125	322.042932021363	322.153580519798	234.465	233.537	235.518	85	0	10	8	8	8	8	8	8	8	8	8	3	[124][M]+		106	0.767868853277038	0.131760389336359	1	0	0	NA	1036817.89721205	796140.169789327	0.767868853277038	0	1050208.90503571	138375.934212017	0.131760389336359	0.171592308730904
M323.111T234	323.111021674823	323.066027327633	323.168259752248	234.465	233.911	239.11	33	0	3	2	2	1	6	2	5	4	1	7	0	[124][M+1]+		106	2.39291292060978	1.85209451301582	1	0	0	NA	456487.616013027	1092335.11445593	2.39291292060978	0	67443.5618603718	124911.850859838	1.85209451301582	0.773991605404452
M323.125T334	323.125	323.062693725346	323.161158717098	333.5605	332.773	334.202	30	0	4	2	3	3	3	3	2	6	0	0	4			7359	3.07362805522582	1.23839278257548	1	0	0	NA	184266.822021984	566367.673814075	3.07362805522582	0	80443.1040213756	99620.1594280398	1.23839278257548	0.402909122484728
M324.3023T835	324.302325444699	324.25	324.375	834.604	834.036	835.177	86	0	10	8	8	8	8	8	8	8	8	8	4			8744	0.271686555606372	0.140071607405206	1	0	0	NA	580964.975255008	157840.373054975	0.271686555606372	0	591139.301041244	82801.832097237	0.140071607405206	0.515563264043679
M325.0932T240	325.093234021288	325.016676868866	325.168539464065	240.183	239.186	245.188	35	0	3	5	1	2	6	4	3	4	3	3	0		[3M+H]+ 108.034	318	2.7385813987968	1.17636274875808	1	0	0	NA	329763.421490655	903083.972097897	2.7385813987968	0	82831.1609234072	97439.492146682	1.17636274875808	0.429551865529692
M325.2827T1014	325.282686173752	325.212420879954	325.33509605116	1014.485	1013.74	1015.22	38	0	5	1	2	4	0	5	6	7	6	2	0	[127][M]+		46	1.5009869321671	1.18740384967256	1	0	0	NA	252356.661914425	378784.051778863	1.5009869321671	0	132221.54289842	157000.36904723	1.18740384967256	0.79108207022043
M326.3165T908	326.316468053338	326.257729637136	326.407453705665	908.3225	907.836	909.234	44	0	7	5	2	5	4	4	7	3	0	5	2			264	1.33949894792883	0.770607216483671	1	0	0	NA	166769.825687525	223388.006054714	1.33949894792883	0	190841.415320799	147063.771850165	0.770607216483671	0.575295126341983
M328.125T206	328.125	328.107179212186	328.16093629706	205.7385	205.157	207.833	72	0	10	2	7	7	8	7	7	7	7	8	2	[128][M]+	[M+H]+ 327.117	112	0.959566911918568	0.158076434059822	1	0	0	NA	586673.49818649	562952.476959274	0.959566911918568	0	663485.152235854	104881.366917082	0.158076434059822	0.164737270633647
M329.125T627	329.125	329.101033281402	329.160343625782	626.754	625.659	627.778	63	0	10	6	8	6	1	8	8	6	6	0	4	[129][M]+	[M+Na+NH3]+ 289.12	38	1.46023328324801	0.133672679092829	1	0	0	NA	2305668.50835277	3366813.8960335	1.46023328324801	0	2493785.27139368	333350.95830943	0.133672679092829	0.0915420026555616
M330.1108T627	330.110783723435	330.06219969175	330.154942860039	626.701	625.629	628.093	47	0	10	1	8	4	0	6	7	5	2	0	4	[129][M+1]+		38	1.5719414292608	0.148479394910663	1	0	0	NA	464690.611900649	730466.424635179	1.5719414292608	0	533090.580015803	79152.9667533208	0.148479394910663	0.0944560606055694
M331.1047T438	331.104742286094	331.046032587259	331.125	438.373	437.472	441.87	79	0	10	8	8	8	8	8	7	8	2	8	4		[M+Na]+ 308.119 [2M+Na+2K]3+ 446.209	10	1.89082967492822	0.127008573280573	1	0	0	NA	5234991.80032923	9898477.84406842	1.89082967492822	0	5980463.39878339	759570.123836164	0.127008573280573	0.0671708165810304
M331.1502T277	331.150163595627	331.104292509557	331.197065114955	276.869	275.239	277.72	38	0	4	7	3	0	8	4	4	7	1	0	0			8170	1.40238492405492	1.39837378077661	1	0	0	NA	258820.312043804	362965.703649421	1.40238492405492	0	184030.706671633	257343.715067403	1.39837378077661	0.997139770109113
M331.1114T410	331.111441846182	331.058638573901	331.126006710696	409.674	408.608	410.624	33	0	5	1	5	1	2	3	1	4	7	0	4			5556	1.5614972849015	1.15815871490089	1	0	0	NA	308335.631942339	481465.252116351	1.5614972849015	0	199691.685532424	231274.665892626	1.15815871490089	0.741697552790782
M331.19T333	331.189982561577	331.146019234076	331.228694745861	333.1425	332.279	334.226	34	0	4	0	1	1	4	4	6	6	0	5	3			204	2.53648665673645	0.971652983630524	1	0	0	NA	358445.289624059	909191.69430146	2.53648665673645	0	116182.98214502	112889.5412483	0.971652983630524	0.383070410029554
M331.1684T293	331.168415081733	331.122077254192	331.233660181666	292.634	289.53	293.618	21	0	2	1	1	1	1	2	4	3	4	1	0		[M+H+HCOOH]+ 284.162	174	3.27927128979243	1.37908249198853	1	0	0	NA	3610758.26421087	11840655.9102075	3.27927128979243	0	44366.535768296	61185.1127082398	1.37908249198853	0.420545410890912
M331.2077T503	331.207730823765	331.162201975867	331.25	503.297	502.601	503.896	21	0	1	0	1	0	3	2	2	2	1	7	2			95	1.91713206810504	2.44948974278318	0	0	0	NA	47549.5578945429	91158.7822638455	1.91713206810504	0	10088.3088411822	24711.2090285046	2.44948974278318	1.27768440345601
M332.0719T438	332.071877014835	332.01390731148	332.125	438.2525	437.718	439.202	64	0	10	7	6	8	8	8	6	7	0	0	4			10	1.95902916626924	0.139646641539235	1	0	0	NA	1008051.41522375	1974802.12352231	1.95902916626924	0	1205478.01228892	168340.95586554	0.139646641539235	0.0712835949273675
M332.0873T425	332.087333149013	332.03217911278	332.125	425.146	424.34	426.416	46	0	8	0	5	1	1	5	7	2	5	8	4			66	1.34430866056871	0.576309402734952	1	0	0	NA	317788.904317136	427206.376306168	1.34430866056871	0	346118.327380337	199471.246528183	0.576309402734952	0.428703183754796
M333.0561T361	333.056080208748	333.008561205142	333.125	361.347	360.854	361.845	22	0	1	0	3	4	4	4	3	3	0	0	0			7685	6.94235515620415	2.44948974278318	1	0	0	NA	8870634.13833681	61583092.6490831	6.94235515620415	0	15307.2890333728	37495.0474770642	2.44948974278318	0.352832675319722
M334.3349T1013	334.334906688688	334.29911428645	334.389452437574	1013.395	1012.73	1014.48	36	0	8	3	3	1	4	3	4	1	1	4	4		[M+K]+ 295.368	46	1.71540034191988	0.648336293522595	1	0	0	NA	133353.751835262	228755.071494508	1.71540034191988	0	249844.825038417	161983.467821209	0.648336293522595	0.377950428059828
M337.1249T292	337.124881401002	337.048477431632	337.172779220268	291.7675	290.454	297.463	64	0	9	3	3	7	5	7	7	6	8	4	2			63	0.760032122424345	0.419088569134438	1	0	0	NA	494791.635192651	376057.536653282	0.760032122424345	0	639739.02298153	268107.311760793	0.419088569134438	0.551409021762965
M337.0936T243	337.093606938113	337.025478123502	337.145888357814	242.898	242.012	243.371	38	0	4	5	5	3	2	4	2	2	4	4	3	[136][M]+	[M+Na]+ 314.105	27	1.2951847368058	1.41809973882566	1	0	0	NA	128831.202642404	166860.207286777	1.2951847368058	0	107606.956423362	152597.396799794	1.41809973882566	1.09490152140226
M337.2699T907	337.269862183917	337.212342173828	337.345578427496	907.378	906.471	907.84	76	0	9	8	8	7	6	7	8	7	8	4	4		[M+H-H20]+ 354.276	44	0.733532097894675	0.398537744381021	1	0	0	NA	760019.421107725	557498.640405846	0.733532097894675	0	636945.906635951	253846.984923416	0.398537744381021	0.543313299479154
M337.176T966	337.176044821319	337.125	337.25	966.0505	965.494	966.619	54	0	5	5	4	6	4	6	4	4	7	6	3	[137][M]+	[M+H]+ 336.167	72	1.50875871444557	1.01969489600076	1	0	0	NA	517365.57018722	780579.812574069	1.50875871444557	0	291638.696170451	297382.489961326	1.01969489600076	0.675850211327842
M338.2569T907	338.256945179594	338.16982808058	338.352909460678	907.374	906.466	907.858	38	0	5	3	4	3	5	1	4	3	6	0	4		[M+H-NH3]+ 354.276	44	1.54427564833243	1.39082849911726	1	0	0	NA	166727.564284246	257473.317429941	1.54427564833243	0	116949.136761407	162656.192354928	1.39082849911726	0.900634870865919
M338.2946T549	338.2945622796	338.203852078259	338.346905235908	548.825	547.533	550.516	22	0	4	1	0	3	1	2	5	2	0	4	0			70	4.81356402972238	1.29285412827526	1	0	0	NA	155637.52029066	749171.169346306	4.81356402972238	0	33324.3922816608	43083.5781336094	1.29285412827526	0.268585630167638
M339.0682T213	339.068155518501	339.017455122643	339.117385606569	212.8005	211.078	214.809	52	0	6	2	5	4	5	4	6	7	6	3	4		[M+Na]+ 316.078	412	1.02437426975411	0.969516263157747	1	0	0	NA	148786.355171958	152412.91392865	1.02437426975411	0	136319.044929051	132163.531036846	0.969516263157747	0.946447301327147
M339.1875T966	339.187467534059	339.125	339.254548910128	966.1065	965.499	966.981	32	0	3	1	2	4	3	3	5	4	3	4	0		[M+K]+ 300.22	72	3.4536685791557	1.57138163292417	1	0	0	NA	269664.506513591	931331.833059515	3.4536685791557	0	80420.4339105666	126371.192758856	1.57138163292417	0.454989121541106
M339.3181T979	339.318133400261	339.273830155979	339.358092850582	978.715	978.23	979.259	22	0	2	3	2	2	1	4	0	1	4	0	3		[M+H-H20]+ 356.33	300	2.77575405245011	2.00577225536077	1	0	0	NA	199524.120009717	553829.884678514	2.77575405245011	0	43024.0890219303	86296.5240723599	2.00577225536077	0.722604458990273
M341.125T334	341.125	341.108253053159	341.168189425298	333.7125	332.562	335.606	48	0	6	2	4	4	2	4	7	5	8	2	4			7360	1.2838765174053	0.865852392111205	1	0	0	NA	205325.630312863	263612.755180127	1.2838765174053	0	205646.191030132	178059.246431998	0.865852392111205	0.674404726913364
M344.0994T584	344.099380790025	344.050335439686	344.16694156697	584.084	582.741	584.557	43	0	8	8	4	1	1	2	0	1	7	8	3		[M+H]+ 343.094	17	1.58480454117895	0.577202277392176	1	0	0	NA	246698.084278395	390968.244264547	1.58480454117895	0	291037.402134457	167987.451318311	0.577202277392176	0.364210388344036
M345.125T584	345.125	345.090174812696	345.132067635364	583.705	577.74	586.632	93	0	10	8	8	8	8	8	8	8	8	8	4			17	1.39028017210169	0.133782224607575	1	0	0	NA	5584159.3420604	7763546.01112297	1.39028017210169	0	6089603.61424601	814680.718492162	0.133782224607575	0.0962268090217649
M345.125T496	345.125	345.091293873653	345.151462654222	496.487	495.347	497.32	63	0	10	5	8	4	2	8	7	6	8	1	4			59	1.56505348157483	0.135889139837201	1	0	0	NA	1139604.66215372	1783542.24412259	1.56505348157483	0	1258171.14194117	170971.794246374	0.135889139837201	0.0868271541113487
M345.125T512	345.125	345.085969428144	345.1358612763	511.556	510.673	512.659	46	0	10	8	6	3	8	2	3	2	0	0	4			16	2.93852947786196	0.139284831581914	1	0	0	NA	2390717.80951571	7025194.75651149	2.93852947786196	0	3766355.88279622	524596.244812825	0.139284831581914	0.0473995012237401
M345.1407T622	345.140726093067	345.071700976728	345.220286251947	622.042	619.458	627.308	35	0	8	5	1	1	0	1	7	3	8	0	0	[141][M]+		103	2.1617087433756	0.651445934826125	1	0	0	NA	599839.885154532	1296679.12436397	2.1617087433756	0	355762.480361675	231760.021595272	0.651445934826125	0.301356941272701
M345.1589T634	345.158926714613	345.125	345.198937645976	633.98	633.376	634.606	24	0	7	0	2	0	0	0	6	0	8	1	0	[142][M]+	[M+H-H20]+ 362.178	1824	2.898939818539	0.777482395852719	1	0	0	NA	326824.891193335	947445.690770034	2.898939818539	0	240968.426251494	187348.70936687	0.777482395852719	0.268195424713768
M346.0458T452	346.045777990573	345.947373215556	346.116564526845	451.593	450.973	453.821	23	0	2	0	3	5	3	4	0	2	1	0	3		[3M+3Na-H]2+ 208.039 [M+H-H20]+ 363.053	1	4.93784594454058	1.99583878257488	1	0	0	NA	393655.053888525	1943808.01139135	4.93784594454058	0	37795.5399051527	75433.80435106	1.99583878257488	0.404192193314887
M346.104T584	346.104012717634	346.053412054977	346.132550312669	583.695	583.174	584.873	75	0	10	8	7	5	5	8	5	7	8	8	4	[143][M]+	[M+H]+ 345.092	17	1.47898621533868	0.125968367505376	1	0	0	NA	1134502.46863291	1677913.51237577	1.47898621533868	0	1228641.96157546	154770.022148263	0.125968367505376	0.0851721038363631
M346.1055T497	346.105499374049	346	346.13237453117	496.53	495.679	497.099	41	0	9	0	8	3	0	4	3	5	5	0	4			59	1.91550613305259	0.407385229309348	1	0	0	NA	208906.956634126	400162.55667002	1.91550613305259	0	248509.417393452	101239.065990364	0.407385229309348	0.212677590679457
M346.1051T512	346.105087113562	346.085342469401	346.125	511.503	510.65	512.453	29	0	10	8	4	1	6	0	0	0	0	0	0	[144][M]+		16	3.05329564563576	0.147312112751565	1	0	0	NA	489995.655222158	1496101.60047025	3.05329564563576	0	781808.508901587	115169.863213443	0.147312112751565	0.0482469206551045
M347.0796T381	347.079571966457	347	347.125	380.697	380.127	381.32	85	0	10	8	8	8	8	8	8	8	7	8	4			19	0.853308803181721	0.110003095791039	1	0	0	NA	9686050.09033205	8265191.81013944	0.853308803181721	0	10415972.1024347	1145789.17694091	0.110003095791039	0.128913583664989
M347.0881T584	347.088098197642	347.034731618012	347.134202369287	584.086	583.196	584.549	30	0	7	7	1	0	0	2	0	1	5	5	2	[143][M+1]+		17	2.31894784986075	0.787422902885523	1	0	0	NA	165101.358679234	382861.440718297	2.31894784986075	0	171360.873821298	134933.476705366	0.787422902885523	0.339560418718691
M348.056T381	348.055998656598	348	348.125	380.738	380.127	381.32	72	0	10	8	8	8	8	8	8	8	2	0	4			19	0.849256453463579	0.109212128546851	1	0	0	NA	1953191.92039523	1658760.84324857	0.849256453463579	0	2138991.92372018	233603.860934003	0.109212128546851	0.128597349012119
M349.0782T381	349.078162518427	349.007277445542	349.212834800267	380.7285	379.829	381.213	56	0	9	3	7	8	7	7	6	6	0	0	3			19	1.0251207389205	0.4545165381696	1	0	0	NA	335738.236782404	344172.229374242	1.0251207389205	0	388081.711466449	176389.556022664	0.4545165381696	0.443378541583531
M351.1463T518	351.1462879166	351.120512461929	351.19142580462	518.481	517.878	519.222	25	0	4	0	0	0	0	0	8	7	2	0	4	[147][M]+	[M+H]+ 350.137	109	2.01225309745454	1.2293423979519	1	0	0	NA	147144.819738658	296092.619293505	2.01225309745454	0	75777.8530417412	93156.9275699809	1.2293423979519	0.610928316873753
M351.2324T402	351.232383820614	351.191837467258	351.273496638571	402.3475	401.667	403.61	30	0	3	3	8	3	2	2	0	4	1	1	3		[M+Na]+ 328.243	7539	1.7368740904495	1.63496071523057	1	0	0	NA	170416.232269768	295991.538421383	1.7368740904495	0	121885.31086738	199277.695031832	1.63496071523057	0.94132368271292
M353.2921T844	353.292071039923	353.25	353.337473789269	843.886	843.385	844.543	63	0	10	8	8	7	7	6	2	3	8	0	4		[M+H]+ 352.283	185	0.944552960865167	0.125016220218273	1	0	0	NA	276043.857759346	260738.043175233	0.944552960865167	0	329575.545398401	41202.2889620839	0.125016220218273	0.13235490798077
M353.25T431	353.25	353.218846394451	353.27211244607	430.814	430.104	432.432	61	0	4	3	7	8	7	8	4	8	0	8	4	[150][M]+	[M+H-CO]+ 380.23	145	2.86215383859085	1.08106847326877	1	0	0	NA	3196506.54475312	9148893.47714592	2.86215383859085	0	284939.916975931	308039.5610185	1.08106847326877	0.377711518749468
M355.125T243	355.125	355.064768772206	355.125	242.9005	242.008	243.363	86	0	10	8	8	8	8	8	8	8	8	8	4		[M+K]+ 316.157 [M+Na]+ 332.13	27	0.391987114678581	0.0939748434927515	1	0	0	NA	8734389.11008746	3423767.9857432	0.391987114678581	0	9164372.06995313	861220.430983188	0.0939748434927515	0.23973962401751
M355.0908T227	355.090770796497	355.030088695363	355.125	226.8505	225.834	227.879	72	0	8	6	8	6	8	6	7	7	6	7	3			292	0.684900893720323	0.583704779887961	1	0	0	NA	308170.448229366	211066.215410485	0.684900893720323	0	261890.119087766	152866.514316956	0.583704779887961	0.852247069962673
M355.2808T907	355.280844759593	355.190156409273	355.366559498825	907.377	906.471	907.852	74	0	10	8	8	8	7	7	6	8	8	0	4		[M+H]+ 354.276	44	0.64500445624588	0.152063958913007	1	0	0	NA	445346.62702696	287250.559006461	0.64500445624588	0	463995.962231976	70557.0629366446	0.152063958913007	0.235756447014437
M356.0825T243	356.082501964733	356.033041605579	356.125	242.905	242.008	243.371	85	0	10	8	8	8	8	8	8	8	8	7	4	[154][M]+	[M+H]+ 355.083	27	0.417559129845753	0.081536314400457	1	0	0	NA	1650525.76651266	689192.10285302	0.417559129845753	0	1789911.83079727	145942.813784984	0.081536314400457	0.195268905820779
M356.2588T907	356.258801207364	356.14911789285	356.332533177663	907.3805	906.919	908.304	32	0	5	5	4	4	1	2	1	1	5	0	4		[M+H-CH4]+ 371.273	44	1.52104548451907	0.990938835264773	1	0	0	NA	79498.7006368939	120921.139628881	1.52104548451907	0	84131.058508996	83368.733128497	0.990938835264773	0.65148534041248
M357.0891T243	357.089060442849	357.010825605013	357.137517780184	242.905	242.008	243.806	75	0	8	7	6	6	7	7	7	8	8	7	4	[154][M+1]+		27	0.71561723239206	0.577173247268897	1	0	0	NA	325190.351105009	232711.819058369	0.71561723239206	0	311740.069118324	179928.027996853	0.577173247268897	0.806539056276786
M357.135T379	357.134962534149	357.096325076708	357.188063065506	378.524	377.738	379.905	62	0	6	7	6	5	4	6	8	7	4	5	4	[155][M]+	[M+K]+ 318.17 [M+Na]+ 334.144 [M+H]+ 356.127	267	0.806636564711509	0.939560191783247	1	0	0	NA	226957.373438371	183072.116046275	0.806636564711509	0	149862.607456534	140804.940202999	0.939560191783247	1.1647875051626
M357.3415T979	357.341509550722	357.294167515789	357.381859242134	978.768	978.356	979.379	21	0	1	2	3	3	0	2	0	2	4	0	4	[157][M]+	[M+H]+ 356.33	300	5.95716928041852	2.44948974278318	1	0	0	NA	1107101.6496546	6595191.93762305	5.95716928041852	0	12730.9247677977	31184.2696348647	2.44948974278318	0.411183504694882
M359.125T667	359.125	359.113784904682	359.156160672827	667.25	665.881	667.738	77	0	10	8	8	6	7	6	8	8	8	4	4	[158][M]+	[M+Na]+ 336.142	15	2.18475198278621	0.131765656467191	1	0	0	NA	4807833.67391401	10503924.1519899	2.18475198278621	0	6257147.44947154	824477.14129163	0.131765656467191	0.0603114941674757
M359.125T576	359.125	359.125	359.15398522991	575.899	575.064	577.134	47	0	10	0	8	2	1	8	8	6	0	0	4	[159][M]+		1955	1.9596374166718	0.133589352918724	1	0	0	NA	2014001.87529887	3946713.43208283	1.9596374166718	0	2351712.2077917	314163.712089957	0.133589352918724	0.0681704440740927
M360.0567T452	360.056728926355	359.964637179469	360.117088509136	451.818	450.476	453.395	45	0	4	1	5	7	4	6	3	6	1	6	2		[M+K]+ 321.093	1	1.0615003445069	1.40792755339828	0	0	0	NA	219942.769854779	233469.32597265	1.0615003445069	0	128897.62753925	181478.521380179	1.40792755339828	1.32635619072955
M360.125T667	360.125	360.085439417267	360.179796463153	667.195	666.364	667.719	63	0	10	8	5	6	3	4	8	7	7	1	4	[158][M+1]+		15	2.23185690919138	0.139368016779947	1	0	0	NA	1038158.16369258	2317020.47047071	2.23185690919138	0	1369083.32534236	190806.427859461	0.139368016779947	0.0624448709977745
M360.125T576	360.125	360.091350496617	360.155137479152	575.899	575.064	577.071	39	0	10	0	8	2	0	5	5	5	0	0	4	[159][M+1]+		1956	2.03466766818971	0.149534065031662	1	0	0	NA	429976.990261924	874860.280151458	2.03466766818971	0	492520.32518218	73648.5663352073	0.149534065031662	0.0734931150523986
M361.1079T452	361.107924828361	361.026549686364	361.125	451.674	450.938	452.719	86	0	10	8	8	8	8	8	8	8	8	8	4		[M+Na+NH3]+ 321.093	1	0.490889749727038	0.103065391093408	1	0	0	NA	20197685.1281753	9914836.59763549	0.490889749727038	0	21752273.2270978	2241906.5473215	0.103065391093408	0.209956290899775
M361.125T443	361.125	361.037601381803	361.125	443.488	442.643	444.29	49	0	10	8	6	2	7	2	7	3	0	0	4			1556	2.2833225004248	0.124049264459287	1	0	0	NA	1688289.1437015	3854908.58903656	2.2833225004248	0	2325339.43537683	288456.64657667	0.124049264459287	0.0543284027710534
M362.091T452	362.090960006977	362.034107013056	362.126732839414	451.64	450.935	452.748	82	0	10	4	8	8	8	8	8	8	8	8	4	[161][M]+	[M+K+NH3]+ 306.11	1	0.521474426785434	0.121276044998033	1	0	0	NA	4292069.30555577	2238204.38083805	0.521474426785434	0	4523391.62589521	548579.046365794	0.121276044998033	0.232563743816978
M362.107T443	362.106968961019	362.057703586477	362.135163549513	443.483	442.822	444.29	31	0	7	5	3	1	6	1	2	2	0	0	4		[M+H]+ 361.103	18	2.45854390622879	0.818221295097521	1	0	0	NA	251261.977091735	617738.602645884	2.45854390622879	0	333876.375233615	273184.760146114	0.818221295097521	0.332807273860163
M362.2314T346	362.231403765798	362.158406966301	362.268760586725	345.6505	344.621	345.953	52	0	7	0	5	8	7	8	7	6	0	0	4			141	1.48232604247056	0.789521248659738	1	0	0	NA	439156.267325641	650972.771770961	1.48232604247056	0	283357.391890541	223716.681862386	0.789521248659738	0.532623205717859
M363.0781T452	363.078145249026	363.004869142372	363.15412756607	451.73	450.704	452.748	66	0	9	0	8	7	8	7	7	5	4	8	3	[161][M+1]+		1	1.12126099346271	0.448570011380939	1	0	0	NA	758272.940335553	850221.870396537	1.12126099346271	0	776961.447764308	348521.605466187	0.448570011380939	0.400058518040167
M367.1429T433	367.142904766183	367.086964275875	367.206799386624	433.32	432.603	433.853	33	0	8	2	2	0	1	0	8	8	0	0	4	[162][M]+		3	1.95357728844123	0.60798333868661	1	0	0	NA	774634.010586547	1513307.40993602	1.95357728844123	0	745067.464814795	452988.604804867	0.60798333868661	0.311215400733761
M369.0338T381	369.033814322373	368.907415786769	369.110077471938	380.6225	380.236	381.16	26	0	4	2	3	4	6	4	2	1	0	0	0			1591	1.81763386301088	1.19525839062886	1	0	0	NA	68940.937451124	125309.382458878	1.81763386301088	0	46027.479229838	55014.7307489597	1.19525839062886	0.65759029634766
M372.2774T907	372.277406280679	372.155477140045	372.367491457078	907.381	906.919	908.058	37	0	4	5	4	3	6	3	1	3	3	1	4		[M+H]+ 371.273	44	1.89059049441111	1.62621514937393	1	0	0	NA	124427.707780725	235241.841571602	1.89059049441111	0	73658.6177375984	119784.760046826	1.62621514937393	0.860162554599361
M373.1469T518	373.146873758451	373.125	373.238943941053	518.4515	517.394	519.09	48	0	10	7	2	0	1	1	8	8	7	0	4	[165][M]+	[M+H]+ 372.143	109	1.37611748520483	0.143822064173824	1	0	0	NA	678878.444432445	934216.497712145	1.37611748520483	0	786756.676071598	113152.969155154	0.143822064173824	0.104512925473378
M373.2158T534	373.21577884224	373.160741198219	373.25	533.6265	532.819	534.754	30	0	10	6	2	0	0	0	4	0	8	0	0	[166][M]+		3691	2.02013095532929	0.123180255815728	1	0	0	NA	464153.543956423	937650.942172165	2.02013095532929	0	663224.906439304	81696.2136385555	0.123180255815728	0.0609763716014385
M374.0416T243	374.04157174425	373.898122817174	374.101667911709	242.9085	242.012	243.797	50	0	7	5	5	4	4	2	4	6	6	5	2	[167][M]+	[M+K]+ 335.075	27	1.14666243350677	0.775343036101821	1	0	0	NA	153912.392226582	176485.558217381	1.14666243350677	0	138616.71226878	107475.502544928	0.775343036101821	0.676173748651235
M374.0996T526	374.099572091723	374.04448324008	374.206720459222	526.339	524.951	527.454	33	0	3	2	4	3	6	2	6	3	1	0	3			1746	1.5065540405791	1.65756311622072	1	0	0	NA	220750.993314099	332573.300939205	1.5065540405791	0	69061.3579647352	114473.559718462	1.65756311622072	1.10023475532519
M374.3196T596	374.319559401569	374.166929402034	374.364525433306	595.823	594.597	596.693	21	0	1	0	3	3	1	0	6	0	0	7	0			13150	3.60386212915413	2.23606797749979	1	0	0	NA	130234.294795956	469346.442932239	3.60386212915413	0	5746.191000315	12848.8736884019	2.23606797749979	0.620464351122285
M375.125T526	375.125	375.071449125765	375.142376880691	525.894	525.096	528.211	80	0	10	8	8	8	8	8	8	8	8	2	4	[168][M]+		23	0.827133030858405	0.122395206990531	1	0	0	NA	8817805.61956066	7293498.28762749	0.827133030858405	0	10053544.5303785	1230505.6637842	0.122395206990531	0.147975237868942
M375.1115T667	375.111478719231	375.046621021969	375.154297701023	666.96	664.582	668.017	26	0	9	6	1	3	0	0	3	1	2	0	1		[M+K]+ 336.142	15	2.34521181194947	0.367202552709386	1	0	0	NA	75204.3854335372	176370.213029132	2.34521181194947	0	295630.342847418	108556.216551923	0.367202552709386	0.156575432051976
M376.1121T526	376.112146024807	376.063749031764	376.159644753459	525.894	525.096	527.508	77	0	10	8	8	8	8	6	8	8	8	1	4	[168][M+1]+		23	0.840148018641352	0.113620079667287	1	0	0	NA	1930316.08178353	1621751.23146197	0.840148018641352	0	2164931.88419107	245979.733156039	0.113620079667287	0.135238168925314
M377.0928T243	377.092815330698	377.037882872002	377.125	242.907	242.008	243.363	86	0	10	8	8	8	8	8	8	8	8	8	4		[M+Na+K-H]+ 316.157 [M+2Na-H]+ 332.13 [M+H-C2H4]+ 404.115	27	0.223924320786247	0.0922693220952422	1	0	0	NA	2724476.11228108	610076.462940895	0.223924320786247	0	2922667.18824413	269672.520169294	0.0922693220952422	0.412055831056067
M377.0933T227	377.093296356366	377.034940571723	377.127671536094	226.915	225.841	227.939	61	0	8	4	4	5	7	4	6	5	7	7	4			292	0.795297730236201	0.571331615524547	1	0	0	NA	184470.521444802	146708.987000539	0.795297730236201	0	205122.744679289	117193.109098447	0.571331615524547	0.71838708172204
M377.0952T526	377.095218178724	377.032993355053	377.158024338603	525.8925	524.924	526.69	52	0	9	4	4	6	6	1	8	5	5	0	4			1752	1.07914559520996	0.461044529194358	1	0	0	NA	307713.181295963	332067.324183581	1.07914559520996	0	369169.599041947	170203.623983164	0.461044529194358	0.427231071730092
M377.2682T907	377.26823590218	377.194209155787	377.328011951796	907.3815	906.473	908.058	72	0	9	8	8	8	6	6	6	7	8	2	4	[170][M]+	[M+Na]+ 354.276	44	0.700847895311261	0.414637280404262	1	0	0	NA	404666.363512097	283609.569170715	0.700847895311261	0	373456.961389674	154849.178818654	0.414637280404262	0.591622352265341
M378.0738T243	378.073805534525	378.025300305719	378.164286373404	242.908	242.438	243.81	75	0	10	7	4	6	7	6	8	7	8	8	4	[171][M]+	[M+Na]+ 355.083	27	0.482186547977506	0.16007240470475	1	0	0	NA	502659.132788766	242375.472048782	0.482186547977506	0	633855.658167785	101462.799438629	0.16007240470475	0.331971941930278
M378.1911T255	378.191120817891	378.137309392037	378.25	254.742	254.121	255.397	54	0	10	0	7	8	8	8	5	4	0	0	4		[M+H]+ 377.185	151	1.28363543247086	0.155510424726492	1	0	0	NA	423097.694622475	543103.192214143	1.28363543247086	0	475403.858610606	73930.2559691482	0.155510424726492	0.121148435757302
M378.2027T262	378.202696305609	378.140863574938	378.25	262.424	261.746	263.042	40	0	7	0	3	8	6	8	4	0	0	0	4	[172][M]+		6035	1.54848500313334	0.724532354342676	1	0	0	NA	339264.300140158	525345.680865565	1.54848500313334	0	291570.771767268	211252.45772605	0.724532354342676	0.467897559793341
M378.2599T907	378.259883227219	378.174018827686	378.330935309533	907.372	906.471	907.852	27	0	1	4	5	1	3	1	2	3	5	0	2	[170][M+1]+		44	3.47845166383022	2.64575131106459	1	0	0	NA	66318.7173934787	230686.452860432	3.47845166383022	0	4742.16678886781	12546.593998934	2.64575131106459	0.760611779825993
M383.045T452	383.045034921898	382.927813997098	383.109475559285	451.6315	450.658	452.986	34	0	8	1	1	4	8	2	1	2	1	5	1			940	7.64291761871991	0.500082933873592	1	0	0	NA	1568230.74531408	11985858.3935793	7.64291761871991	0	244351.83288906	122196.181488551	0.500082933873592	0.0654308941717142
M384.1623T433	384.162282394397	384.062846115709	384.230639200949	433.348	432.493	434.23	21	0	3	0	0	0	0	0	7	7	0	0	4	[175][M]+		987	3.18180401314928	1.41406239264353	1	0	0	NA	232261.657306128	739011.073317343	3.18180401314928	0	40469.8994103308	57226.9627902152	1.41406239264353	0.444421588130413
M386.2325T324	386.23249341191	386.14894177953	386.263000926295	323.6015	322.81	324.471	44	0	3	1	4	8	8	4	5	7	0	0	4			1998	2.26598922389221	1.38791820471213	1	0	0	NA	205073.039594097	464693.297831046	2.26598922389221	0	39380.5415342593	54656.9705068205	1.38791820471213	0.612499913979355
M388.1206T610	388.120564914402	388.012722882615	388.227465951014	609.531	608.63	611.303	41	0	8	6	6	4	0	1	3	1	7	1	4			13	1.53456495613967	0.596660118595423	1	0	0	NA	188506.727308952	289275.817724895	1.53456495613967	0	236465.932270778	141089.79119246	0.596660118595423	0.388813856466769
M389.125T610	389.125	389.100331164121	389.183143159873	609.503	608.253	610.44	82	0	10	8	8	8	8	8	8	8	8	4	4	[176][M]+	[M+H]+ 388.119	13	1.22583239807495	0.133290732088095	1	0	0	NA	6793664.23456276	8327893.72037008	1.22583239807495	0	7909540.80778288	1054268.48475004	0.133290732088095	0.108734874602283
M389.1551T433	389.155115404027	389.067898696792	389.209761902118	433.235	432.437	433.84	30	0	6	0	2	1	1	0	8	8	0	0	4	[177][M]+	[M+H-CH3]+ 403.181	3	3.23559219983077	1.18483060206631	1	0	0	NA	1074271.64863523	3475904.96682349	3.23559219983077	0	199826.046138563	236760.014554884	1.18483060206631	0.366186629491899
M390.125T610	390.125	390.091552407006	390.198815073292	609.524	608.628	610.864	76	0	10	8	8	7	6	6	8	7	8	4	4	[176][M+1]+		13	1.22080238379991	0.146666022266421	1	0	0	NA	1564176.84769969	1909550.82435641	1.22080238379991	0	1801467.40139306	264214.058004946	0.146666022266421	0.120139036598129
M391.125T610	391.125	391.060168815365	391.193929972536	609.529	608.636	610.44	46	0	10	6	7	3	1	1	6	2	6	1	3	[176][M+2]+		13	1.5731314369088	0.135750677002369	1	0	0	NA	263581.240473812	414647.935568772	1.5731314369088	0	346123.678603837	46986.5236970214	0.135750677002369	0.0862932834583226
M394.1634T398	394.163378036353	394.113384093216	394.214517702092	397.774	396.875	399.53	79	0	10	5	8	8	8	8	8	8	8	4	4			96	0.506676783086895	0.151923842241854	1	0	0	NA	2396310.89071991	1214155.09338605	0.506676783086895	0	2585556.89122655	392807.737250041	0.151923842241854	0.299843701770324
M394.2014T228	394.20137282009	394.144784392051	394.25	227.986	227.263	232.329	24	0	3	0	0	8	3	8	0	0	0	0	1	[179][M]+		299	2.0853594952609	1.67532511612249	1	0	0	NA	142386.791063215	296927.646743405	2.0853594952609	0	61207.4282445012	102542.341831278	1.67532511612249	0.803374727441366
M395.1362T398	395.136225852553	395.105067371749	395.170955654331	398.1795	396.842	399.001	24	0	3	0	3	3	2	5	1	2	2	0	3		[M+H-C2H4]+ 422.157	96	1.83052837912762	1.65158833926408	1	0	0	NA	158432.187740156	290014.61582563	1.83052837912762	0	106868.022871512	176501.980414796	1.65158833926408	0.902246781910685
M399.1304T242	399.130407581914	399.062142558343	399.212146487698	241.581	241.094	242.459	30	0	2	1	5	3	2	3	5	5	2	0	2			13468	4.61167708161841	1.51956147064015	1	0	0	NA	152797.165558896	704651.186544216	4.61167708161841	0	14145.6705273916	21495.2159097942	1.51956147064015	0.329503008069872
M402.173T378	402.17296350085	402.109456844353	402.24328491474	377.959	376.906	381.774	45	0	5	0	1	6	4	6	8	3	3	2	2		[M+K]+ 363.205	267	2.23303999472959	1.07028069294522	1	0	0	NA	219278.022480043	489656.59416315	2.23303999472959	0	159154.205657336	170339.673516079	1.07028069294522	0.479293114082725
M405.1167T610	405.116687740436	405.030176628952	405.207408303243	609.5295	608.158	610.88	44	0	8	6	6	4	0	3	6	3	4	2	2			1402	1.28167219126254	0.593449408305281	1	0	0	NA	139431.621349852	178705.631666753	1.28167219126254	0	215547.748715313	127916.683936638	0.593449408305281	0.463027451442706
M406.2042T254	406.204222066899	406.145193864571	406.258694087541	254.093	253.633	254.993	49	0	5	5	6	6	1	5	7	5	5	0	4		[M+H+NH3]+ 388.178	151	2.04435523979991	1.240044070827	1	0	0	NA	291923.122065195	596794.56421273	2.04435523979991	0	122090.039488758	151397.029575069	1.240044070827	0.606569761793637
M411.1705T254	411.170462025436	411.125	411.227850268563	254.177	253.307	255.266	80	0	10	8	6	8	8	8	8	8	8	4	4	[182][M]+	[M+Na]+ 388.178	151	0.461102786736265	0.0616590307538903	1	0	0	NA	523678.041250715	241469.404173293	0.461102786736265	0	569317.528289887	35103.566985555	0.0616590307538903	0.133720793991118
M420.1764T250	420.176381081803	420.127982568525	420.235936516485	249.979	249.067	253.135	52	0	9	0	7	7	7	8	6	4	1	1	2		[M+H+NH3]+ 402.15	324	1.06699192426705	0.422253810294405	1	0	0	NA	172354.944147221	183901.333512584	1.06699192426705	0	211935.765598053	89490.6845614397	0.422253810294405	0.395742273855037
M422.1206T260	422.12061057693	422.048726570687	422.155164534573	260.451	259.533	261.137	52	0	7	7	5	5	2	8	7	4	4	0	3			11359	1.59342076864139	0.717573187472918	1	0	0	NA	221033.616916026	352199.555761919	1.59342076864139	0	156241.681930509	112114.841719005	0.717573187472918	0.450335028634495
M425.1861T278	425.186114383527	425.125	425.25	278.108	276.243	279.077	25	0	6	7	1	0	0	1	2	0	8	0	0			2636	4.28484096924228	0.768874643914973	1	0	0	NA	544149.061711333	2331592.19299547	4.28484096924228	0	170844.204574002	131357.776956773	0.768874643914973	0.179440648890859
M428.145T278	428.144973186652	428.043414383975	428.21610845794	278.1375	277.457	278.949	58	0	7	7	6	4	5	6	7	6	7	0	3			49	0.885707556979543	0.765205864933981	1	0	0	NA	208592.537354583	184751.986664492	0.885707556979543	0	191739.280705181	146720.022133828	0.765205864933981	0.863948668952878
M433.125T296	433.125	433.124128758706	433.141452006092	296.158	295.413	296.84	86	0	10	8	8	8	8	8	8	8	8	8	4	[188][M]+		21	0.846889790738318	0.0990641569808098	1	0	0	NA	10085884.7109554	8541632.79227184	0.846889790738318	0	12049434.6394997	1193667.08465741	0.0990641569808098	0.11697408336266
M433.125T276	433.125	433.099087835197	433.156711734839	276.041	275.074	276.75	80	0	10	8	8	8	8	7	8	7	4	8	4	[189][M]+		123	0.688456695822579	0.102798308024957	1	0	0	NA	1058760.21505405	728910.559324511	0.688456695822579	0	1102788.85493917	113364.828396526	0.102798308024957	0.149317028432895
M434.125T296	434.125	434.075433535144	434.159359969298	296.246	295.412	296.84	86	0	10	8	8	8	8	8	8	8	8	8	4	[188][M+1]+		21	0.843297690309284	0.0975840572507178	1	0	0	NA	2425240.48867425	2045199.70254356	0.843297690309284	0	2970395.03589322	289863.199239852	0.0975840572507178	0.115717211575581
M434.125T276	434.125	434.084873795229	434.160350643989	275.987	274.948	276.712	39	0	4	4	5	5	1	1	7	4	0	4	4	[189][M+1]+		123	2.08373594181977	1.5578696386153	1	0	0	NA	561979.804256405	1171017.51670591	2.08373594181977	0	82542.67614207	128590.729051786	1.5578696386153	0.747632944918526
M435.1124T296	435.112355738395	435.053426399185	435.200384026928	296.146	295.412	297.294	67	0	10	8	5	3	8	4	7	6	6	8	2	[188][M+2]+		21	1.02353754028043	0.128156103148836	1	0	0	NA	469172.263394469	480215.424442578	1.02353754028043	0	661336.072157847	84754.2538795072	0.128156103148836	0.12520899146867
M447.125T298	447.125	447.073642532433	447.137235178089	297.929	297.079	301.345	96	0	10	8	8	1	8	8	8	8	8	8	4			2080	1.83678370546904	0.243312428229714	1	0	0	NA	2208925.66612326	4057318.67012753	1.83678370546904	0	1503196.37327516	365746.35968768	0.243312428229714	0.132466565064384
M447.1288T280	447.12882766232	447.073108238677	447.212090033844	279.81	278.787	280.382	51	0	10	7	8	2	2	3	2	6	3	8	0	[193][M]+	[M+Na]+ 424.146	35	1.65464388891417	0.141645938324791	1	0	0	NA	466447.762610494	771804.939901139	1.65464388891417	0	519397.460739202	73570.5406899182	0.141645938324791	0.0856050895747388
M448.1001T298	448.100072948673	448	448.155412025184	298.122	297.179	301.287	65	0	10	8	7	0	4	4	5	6	8	6	2			2083	1.78843630320885	0.267855015015931	1	0	0	NA	534944.470276304	956714.110842967	1.78843630320885	0	531105.73406406	142259.334372776	0.267855015015931	0.149770508759714
M448.1412T280	448.141221952829	448.062229887597	448.246940552818	279.7855	278.671	280.351	28	0	5	5	8	2	1	2	1	1	1	2	0	[193][M+1]+		35	1.92762804091537	1.2125980567931	1	0	0	NA	142406.024236653	274505.845513846	1.92762804091537	0	117171.642640268	142082.106176844	1.2125980567931	0.629062262560404
M449.125T280	449.125	449.101023816767	449.125	279.811	278.671	280.39	86	0	10	8	8	8	8	8	8	8	8	8	4	[195][M]+	[M+H]+ 448.122	35	0.326963343016259	0.0833768872495128	1	0	0	NA	9223124.83445945	3015623.72893114	0.326963343016259	0	9883060.09243766	824018.787007334	0.0833768872495128	0.255003776510099
M449.125T303	449.125	449.067892320358	449.159526749595	303.394	300.864	304.776	71	0	9	5	8	8	7	7	6	7	5	6	3			196	0.679717203391493	0.392224921952236	1	0	0	NA	548614.930814771	372903.006512234	0.679717203391493	0	613816.400286132	240754.08969523	0.392224921952236	0.577041334241952
M449.125T261	449.125	449.099225439772	449.13664279163	261.419	260.504	262.092	52	0	10	6	4	4	4	2	8	7	1	2	4	[196][M]+	[M+H]+ 448.11	107	1.6167168386657	0.139572305410364	1	0	0	NA	629467.181558124	1017670.19181246	1.6167168386657	0	702510.498243016	98051.0098147615	0.139572305410364	0.0863307055832703
M449.125T267	449.125	449.044335680823	449.161822916787	266.577	265.646	271.162	47	0	10	5	3	5	4	1	8	5	0	2	4	[197][M]+		122	1.57624903909894	0.117928625933862	1	0	0	NA	505978.685047706	797548.416110992	1.57624903909894	0	538400.290820936	63492.8064989045	0.117928625933862	0.0748159859315603
M450.125T280	450.125	450.073717012758	450.153689215682	279.833	278.671	280.364	85	0	10	8	8	8	8	8	8	8	7	8	4	[195][M+1]+		35	0.340750258976233	0.0944213799559075	1	0	0	NA	2226407.3208403	758648.871162913	0.340750258976233	0	2422913.23162537	228774.810843495	0.0944213799559075	0.277098483327912
M450.1075T295	450.107529256211	450.050805430536	450.151653354961	295.4945	290.464	300.824	42	0	6	2	0	4	0	1	6	1	7	7	3		[M+K]+ 411.146	21	1.53700469149314	0.943931986288196	1	0	0	NA	322023.678838946	494951.90514734	1.53700469149314	0	224912.558560616	212302.158143282	0.943931986288196	0.61413734877491
M450.12T262	450.119954215584	450.084095044274	450.185340779738	261.533	260.504	262.092	27	0	4	1	3	2	1	2	6	4	0	0	4	[196][M+1]+		107	2.0710035542435	1.38876024004672	1	0	0	NA	121168.353464655	250940.090687134	2.0710035542435	0	76502.1257266269	106243.110488195	1.38876024004672	0.670573566714136
M451.1029T280	451.102873496526	451.036891344106	451.159001303967	279.892	279.087	280.359	77	0	8	8	8	8	8	7	7	6	5	8	4	[198][M]+		35	0.602543370054326	0.645350007180137	1	0	0	NA	568810.343731282	342732.901433607	0.602543370054326	0	456130.639851725	294363.911703391	0.645350007180137	1.07104324643378
M454.3372T715	454.337178704652	454.271908838501	454.385169454505	715.399	714.445	716.193	27	0	2	8	3	3	2	1	0	2	5	0	1			175	2.0780845582099	1.86136598944208	1	0	0	NA	59547.0194900767	123743.741689752	2.0780845582099	0	22414.8061152891	41722.1577629374	1.86136598944208	0.895712343411807
M455.0678T296	455.067780591593	454.972903627484	455.114095185774	296.086	295.035	297.202	22	0	3	4	2	1	1	1	1	2	1	6	0		[M+2H-H20]2+ 926.123	21	5.4839819749243	1.26239300640927	1	0	0	NA	1120717.58598792	6145995.04053844	5.4839819749243	0	39712.8893026672	50133.2737199925	1.26239300640927	0.230196417891526
M463.1125T280	463.112528497523	463.034914231445	463.146180906735	280.355	279.585	281.268	80	0	10	8	8	4	8	7	8	8	8	8	3	[200][M]+	[M+K]+ 424.146	35	0.791375427932121	0.111970234560519	1	0	0	NA	2015031.21387191	1594646.18917447	0.791375427932121	0	1978216.88718325	221501.408869489	0.111970234560519	0.141488136488013
M463.125T301	463.125	463.09793513499	463.164335747509	301.312	300.599	304.918	77	0	10	2	7	8	8	7	8	8	7	5	4			2738	0.627110672785972	0.140106366872453	1	0	0	NA	1080944.80972617	677872.026871886	0.627110672785972	0	1242603.04587372	174096.598222011	0.140106366872453	0.223415695111715
M463.1134T297	463.113390380443	463.061468110841	463.156922053666	296.863	295.94	297.653	61	0	10	6	8	8	5	6	6	8	0	0	4		[M+2H]2+ 924.212	21	1.00876143242177	0.149734496543837	1	0	0	NA	921181.296795577	929252.164475653	1.00876143242177	0	837082.329493752	125340.10117249	0.149734496543837	0.148434002065646
M463.117T292	463.117029720674	463.06251868591	463.171586769776	291.728	290.965	292.306	30	0	1	0	1	5	6	2	4	7	0	1	3			63	1.93554027960946	2	1	0	0	NA	156689.38959921	303278.624956691	1.93554027960946	0	10542.7949491431	21085.5898982862	2	1.03330321826397
M463.1313T265	463.131290484215	463.099306217882	463.177014139408	264.8055	263.934	265.355	22	0	3	3	7	1	2	2	0	3	0	0	1	[201][M]+		3250	2.87822798799857	1.72564291906889	1	0	0	NA	240022.136519819	690838.431070556	2.87822798799857	0	57252.9632390314	98798.1706091461	1.72564291906889	0.599550461695306
M464.1013T297	464.101323775946	464.024033029501	464.12443799541	297.199	296.325	301.808	39	0	1	1	5	6	2	6	3	6	0	1	3			2064	5.24859247891624	2.44948974278318	1	0	0	NA	3598189.92438677	18885432.5748486	5.24859247891624	0	25203.6014154202	61735.9631482673	2.44948974278318	0.466694595288709
M464.0985T280	464.09851565153	464.042413140203	464.169026791431	280.336	279.456	281.068	67	0	10	3	8	0	7	6	8	6	8	8	3	[200][M+1]+		35	0.851906803744498	0.184125231772034	1	0	0	NA	492868.539944496	419878.062530333	0.851906803744498	0	550865.783751253	101428.290108483	0.184125231772034	0.216133068737947
M464.1347T301	464.134696836469	464.125	464.175876390626	300.986	296.756	301.708	23	0	2	0	3	4	3	3	2	4	0	0	1			260	5.04617576615868	1.85195387199991	1	0	0	NA	550883.135600547	2779853.12885299	5.04617576615868	0	60769.0210332916	112541.423800248	1.85195387199991	0.367001459683533
M465.125T265	465.125	465.099696559908	465.129512358506	265.327	264.724	271.691	87	0	10	8	8	8	8	8	8	8	8	8	4	[202][M]+	[M+H]+ 464.115	67	0.587204248591186	0.115482484085277	1	0	0	NA	3391372.59724448	1991428.39765768	0.587204248591186	0	3691255.64331464	426275.371083772	0.115482484085277	0.196664932793558
M465.1094T279	465.109353304626	465.047936350552	465.140012571409	278.9455	277.642	281.712	86	0	10	8	8	8	8	8	8	8	7	8	4	[203][M]+		49	0.429328867117702	0.147104520492435	1	0	0	NA	1391159.71810215	597265.025752576	0.429328867117702	0	1497094.03928969	220229.300781793	0.147104520492435	0.342638317055224
M465.125T482	465.125	465.125	465.169953236802	481.707	481.103	482.741	85	0	10	8	8	8	8	8	8	8	7	8	4	[204][M]+		119	0.537736967395389	0.0922746136199449	1	0	0	NA	1354373.03910857	728296.450772321	0.537736967395389	0	1399221.69184446	129112.640983593	0.0922746136199449	0.171598047400184
M465.1443T469	465.144298456854	465.110320615503	465.217825508108	469.065	468.423	469.85	58	0	8	2	6	8	6	6	8	6	3	2	3	[205][M]+		296	1.40024898524261	0.635708013524417	1	0	0	NA	293354.033497544	410768.687721764	1.40024898524261	0	274066.112607865	174226.024020305	0.635708013524417	0.45399641079852
M465.1393T384	465.13926653101	465.101970055539	465.190715864181	383.631	382.992	384.417	33	0	4	4	3	3	3	3	6	3	2	1	1			6360	3.72977230480054	1.08060342038291	1	0	0	NA	254776.02401693	950256.558305542	3.72977230480054	0	66245.5417329429	71585.1589817369	1.08060342038291	0.289723696803711
M466.1192T265	466.119163845145	466.052502670493	466.158144748079	265.317	264.411	271.691	82	0	8	8	8	7	7	8	8	8	8	7	4	[202][M+1]+		67	0.812461277741294	0.645214002484832	1	0	0	NA	1090565.18686989	886041.985184482	0.812461277741294	0	688775.424260685	444407.548300425	0.645214002484832	0.794147389126751
M466.1404T482	466.140438100965	466.083813416466	466.204665649131	481.706	481.103	482.71	77	0	10	7	8	7	8	8	8	7	4	6	4	[204][M+1]+		119	0.595290583410711	0.0951049427898895	1	0	0	NA	367116.445033978	218540.962743943	0.595290583410711	0	398471.765353388	37896.6344473203	0.0951049427898895	0.159762216034036
M466.0947T279	466.094662542604	466.037603830686	466.159434440747	279.01	277.647	281.386	43	0	6	2	5	5	7	7	4	4	0	0	3	[203][M+1]+		49	1.51734617362715	1.0299492484356	1	0	0	NA	367935.267794138	558285.170729918	1.51734617362715	0	196607.937255247	202496.197212515	1.0299492484356	0.678783303597457
M467.1082T265	467.108150003166	467.035936172159	467.175166105664	265.355	263.934	266.042	45	0	8	4	7	5	2	5	3	4	6	1	0	[202][M+2]+		67	1.22176873826116	0.598520235345235	1	0	0	NA	159743.390518235	195169.480679023	1.22176873826116	0	157837.942530576	94469.2025098083	0.598520235345235	0.489880135742431
M467.2114T235	467.211379785529	467.13951043378	467.256571374347	235.3215	234.622	236.379	22	0	4	1	3	0	5	2	2	2	2	1	0			11441	3.22303033494159	1.48162860299844	1	0	0	NA	67326.3346164766	216994.818809332	3.22303033494159	0	44425.5722037419	65822.1984816366	1.48162860299844	0.459700483404012
M471.0824T280	471.082411704535	471.002023645187	471.164279733405	280.235	278.671	280.802	23	0	3	2	3	3	2	3	3	1	0	3	0		[M+Na]+ 448.094	35	2.48522777583915	1.10446805372279	1	0	0	NA	106717.174329809	265216.48580351	2.48522777583915	0	48990.3797729367	54108.3093989559	1.10446805372279	0.44441321011305
M475.1364T349	475.136402919863	475.102869612318	475.191789769836	348.6835	348.229	352.626	40	0	9	7	7	2	0	0	1	0	3	7	4	[207][M]+		6885	1.62664983856076	0.389214747412323	1	0	0	NA	243071.901521811	395392.86936911	1.62664983856076	0	297077.827334546	115627.071527817	0.389214747412323	0.239273836437162
M477.125T303	477.125	477.077972576386	477.169973822154	302.587	301.728	305.162	76	0	10	2	8	4	8	8	8	8	8	8	4	[208][M]+		126	0.764287442472729	0.119576699585697	1	0	0	NA	789266.192500814	603226.239696636	0.764287442472729	0	881301.111871628	105383.078298815	0.119576699585697	0.156455141011903
M478.125T303	478.125	478.07913971688	478.199230043312	302.638	301.728	305.597	43	0	4	1	7	1	5	4	4	5	8	1	2	[208][M+1]+		126	1.71960289483391	1.2334419465162	1	0	0	NA	177001.55844756	304372.392296537	1.71960289483391	0	101472.662219925	125160.638006725	1.2334419465162	0.717283013550249
M479.1051T279	479.105066988669	479.032826240587	479.125	278.5745	277.881	279.475	68	0	10	3	8	8	8	8	8	8	0	3	4		[M+H]+ 478.092	49	0.770412831991916	0.0796278989174681	1	0	0	NA	4133377.31645605	3184406.92406205	0.770412831991916	0	4320132.28890648	344003.057211135	0.0796278989174681	0.103357441115809
M479.1112T268	479.111227700383	479.052213055576	479.138867906065	268.161	267.655	268.803	29	0	6	1	4	4	5	3	4	1	0	0	1	[212][M]+		202	1.748797295295	1.14295779776769	1	0	0	NA	234468.14017764	410037.249375507	1.748797295295	0	252751.987390276	288884.854888997	1.14295779776769	0.653567912554945
M479.1373T290	479.13732444255	479.125	479.190994418521	289.5505	288.666	302.739	54	0	8	1	4	7	1	5	8	7	1	0	4	[214][M]+		115	1.59770954734119	0.572233740021489	1	0	0	NA	549242.555362577	877530.074508864	1.59770954734119	0	384112.087835444	219801.896609539	0.572233740021489	0.35815880362846
M480.0816T279	480.081610727268	480.028906430592	480.125	278.575	277.964	279.475	65	0	10	3	8	8	8	8	8	8	0	0	4	[215][M]+	[M+Na]+ 457.092	49	0.775449391604315	0.134287587639343	1	0	0	NA	1046236.01953477	811303.084822761	0.775449391604315	0	1079613.0467919	144978.631637645	0.134287587639343	0.173173889996247
M480.1266T290	480.126586538875	480.094125173331	480.165927235665	289.503	288.666	289.943	21	0	1	0	1	5	0	1	5	4	0	0	4	[214][M+1]+		115	3.3969417295298	2.64575131106459	1	0	0	NA	108951.808951021	370102.946333483	3.3969417295298	0	6113.33104417086	16174.3536250869	2.64575131106459	0.77886273057466
M481.081T279	481.080977503207	480.99956960857	481.118678041435	278.6585	277.964	279.475	42	0	5	1	0	6	8	6	6	7	0	0	3	[215][M+1]+		49	1.79692941326778	1.2816848676021	1	0	0	NA	443287.235861014	796555.87264483	1.79692941326778	0	145724.188286588	186772.486970519	1.2816848676021	0.713263892359193
M487.1T265	487.100021770297	487.061831981955	487.157560237395	265.279	264.947	266.154	21	0	2	1	1	5	0	4	0	1	5	0	2	[216][M]+	[M+Na]+ 464.115	67	5.83519504523296	1.70866388161576	1	0	0	NA	166079.673672355	969107.288926835	5.83519504523296	0	25536.9763811424	43634.1091881327	1.70866388161576	0.292820354481834
M491.1347T319	491.1346991785	491.10522543413	491.175046596013	319.311	318.427	319.832	29	0	7	1	8	3	2	4	0	0	0	0	4	[217][M]+	[M+K]+ 452.177	146	2.25263880151482	0.585331164915004	1	0	0	NA	198377.765680449	446873.452329596	2.25263880151482	0	206333.064465585	120773.172984124	0.585331164915004	0.259842441016903
M493.1051T296	493.105066496689	493.041990649494	493.172571233707	296.316	295.733	300.965	37	0	4	0	5	5	7	4	1	7	2	0	2	[218][M]+		1662	2.53698486573429	1.56987370981229	1	0	0	NA	368930.654232581	935971.486293507	2.53698486573429	0	104183.26139215	163554.563062039	1.56987370981229	0.618795062996137
M496.4044T720	496.404436906836	496.364986998118	496.467522688077	720.17	719.38	721.005	82	0	10	8	8	8	8	8	8	6	8	6	4	[220][M]+		165	0.639100095154461	0.122433573509687	1	0	0	NA	421709.075729154	269514.310426002	0.639100095154461	0	445129.060759497	54498.7415817958	0.122433573509687	0.191571828009346
M497.3954T720	497.395413258948	497.353960514724	497.495081620208	720.1685	719.706	720.645	32	0	4	7	2	4	2	0	2	2	6	0	3	[220][M+1]+		165	6.04173925625765	1.10352180866987	1	0	0	NA	385847.739824404	2331191.43663539	6.04173925625765	0	39273.1439600818	43338.7708549817	1.10352180866987	0.182649691068166
M499.1681T292	499.168145595699	499.125	499.25	291.846	291.293	298.467	91	0	10	8	8	8	8	8	8	8	8	8	4	[221][M]+	[M+Na]+ 476.185	63	0.207996335106946	0.0954236737488636	1	0	0	NA	5457741.72411844	1135190.2765769	0.207996335106946	0	5714626.85852941	545310.688944803	0.0954236737488636	0.458775745735132
M500.1686T292	500.168550389198	500.111570822546	500.236297262863	291.831	291.23	292.752	86	0	10	8	8	8	8	8	8	8	8	8	4	[221][M+1]+		63	0.220637936632055	0.0906818889981474	1	0	0	NA	1573490.15672538	347171.621490737	0.220637936632055	0	1629631.5779624	147778.069860662	0.0906818889981474	0.410998626901466
M501.1764T292	501.176442562077	501.107975854407	501.234994704451	291.846	290.965	293.199	55	0	6	2	6	6	6	7	3	6	7	5	1	[221][M+2]+		63	1.20432123809747	1.0179629527899	1	0	0	NA	327297.374916121	394171.179785035	1.20432123809747	0	230639.828720882	234782.801075665	1.0179629527899	0.845258657397777
M501.0727T279	501.072686582732	501.027844951733	501.134030742372	278.589	277.964	279.475	51	0	10	1	4	6	8	5	7	6	0	0	4	[222][M]+	[M+Na]+ 478.092	49	1.01588024596221	0.135536029773734	1	0	0	NA	275978.80025813	280361.411486585	1.01588024596221	0	433794.862875081	58794.8334503297	0.135536029773734	0.1334173297615
M503.2209T293	503.220896892755	503.169743918588	503.282490904942	293.11	291.777	293.759	79	0	9	5	8	7	7	8	8	8	8	8	3	[223][M]+	[M+K]+ 464.256	174	0.691367268742377	0.437056127498672	1	0	0	NA	654544.573871193	452530.69430747	0.691367268742377	0	570136.135037018	249181.491326339	0.437056127498672	0.632162017582483
M504.2109T293	504.210940592804	504.167759938893	504.289496161512	293.0955	292.21	293.618	42	0	3	3	3	7	2	3	4	5	8	4	0	[223][M+1]+		174	2.02189147313884	1.60528578428584	1	0	0	NA	192119.748756661	388445.28183267	2.02189147313884	0	46432.0929342709	74536.7787220239	1.60528578428584	0.793952497259285
M507.1321T302	507.132082018585	507.016659475526	507.198148565433	301.864	301.209	302.891	39	0	10	1	4	3	1	3	1	4	8	1	3	[225][M]+	[M+H-CO2]+ 550.129	51	2.07802215876746	0.175979685320245	1	0	0	NA	315975.400239943	656603.88332402	2.07802215876746	0	404668.913324175	71213.5080256737	0.175979685320245	0.0846861447447816
M508.1363T302	508.136284461012	508.041632204904	508.21613960044	301.912	301.274	302.504	23	0	6	0	4	1	1	2	0	2	6	0	1	[225][M+1]+		2720	2.41489046092865	0.954038283823213	1	0	0	NA	66863.1271706228	161467.127992196	2.41489046092865	0	75238.5225452153	71780.4309264314	0.954038283823213	0.39506482768429
M517.125T292	517.125	517.116229390331	517.176838526053	291.796	290.702	292.314	86	0	10	8	8	8	8	8	8	8	8	8	4	[227][M]+	[M+Na]+ 494.137	63	0.333506226432611	0.0903345956906557	1	0	0	NA	3956352.6415346	1319468.2399149	0.333506226432611	0	4183215.62902284	377889.09253461	0.0903345956906557	0.270863295887847
M517.125T297	517.125	517.090963564253	517.161689633357	297.183	296.306	298.217	83	0	9	6	8	8	8	8	8	8	8	8	4	[228][M]+		124	0.388003560925929	0.393198834248161	1	0	0	NA	1698811.69812909	659144.988216712	0.388003560925929	0	1638232.42078619	644151.078080673	0.393198834248161	1.01338975681005
M517.1304T285	517.130439574299	517.105252426915	517.172055455109	285.009	284.33	285.861	29	0	4	0	4	3	2	5	0	2	2	3	4		[M+Na]+ 494.147	77	1.55400827386742	1.24406015536498	1	0	0	NA	123145.346985617	191368.888103924	1.55400827386742	0	140075.228987464	174262.011136929	1.24406015536498	0.800549248215338
M518.1414T292	518.141403487583	518.101692406108	518.215642127562	291.791	290.447	292.306	83	0	10	5	8	8	8	8	8	8	8	8	4	[227][M+1]+		63	0.405133359897655	0.117238917689696	1	0	0	NA	1150454.50328611	466087.498325689	0.405133359897655	0	1280181.76470276	150087.124539836	0.117238917689696	0.289383519834834
M518.125T297	518.125	518.048098022981	518.177887045919	297.126	295.94	297.749	73	0	10	1	7	8	7	7	8	6	7	8	4	[228][M+1]+		124	0.535102629139071	0.101449198504251	1	0	0	NA	460207.500347039	246258.243385221	0.535102629139071	0	615556.549671728	62447.7185982388	0.101449198504251	0.189588301345992
M518.3703T635	518.370294494987	518.272022823889	518.435823211475	635.3665	634.284	636.315	34	0	4	4	1	5	3	4	2	1	8	0	2			188	1.6854743791188	1.32647955373916	1	0	0	NA	57956.120155852	97683.5556358196	1.6854743791188	0	23900.7690939571	31703.8815217748	1.32647955373916	0.787006655320779
M519.125T315	519.125	519.125	519.179526419132	315.109	314.208	316.167	86	0	10	8	8	8	8	8	8	8	8	8	4	[229][M]+		14	1.48747715918461	0.108959063416285	1	0	0	NA	7759956.03738179	11542757.3618821	1.48747715918461	0	11513121.7949979	1254458.96778058	0.108959063416285	0.073250915312214
M519.1456T292	519.145642851896	519.040320711733	519.248756555801	291.8265	290.891	297.653	48	0	6	0	4	5	4	4	2	5	8	2	3	[227][M+2]+		63	1.60905813605673	1.17946112464113	1	0	0	NA	212414.579430209	341787.407249245	1.60905813605673	0	192600.620523374	227164.944489078	1.17946112464113	0.733013368635397
M520.125T315	520.125	520.103807181443	520.20534800636	315.1055	314.208	316.167	86	0	10	8	8	8	8	8	8	8	8	8	4	[229][M+1]+		14	1.48442237318694	0.094689266779619	1	0	0	NA	2183703.92556015	3241538.96351764	1.48442237318694	0	3310450.36603496	313464.117870172	0.094689266779619	0.0637886281492296
M520.3929T687	520.392879638155	520.291038439635	520.466503626324	686.905	685.575	687.759	75	0	9	8	8	8	4	8	7	7	8	4	4			1167	0.795917690443954	0.413408858251767	1	0	0	NA	302612.235036934	240854.431210679	0.795917690443954	0	314355.919056652	129957.521581895	0.413408858251767	0.519411571341217
M521.1402T315	521.140241460893	521.038855268698	521.221766543333	315.109	314.225	316.167	59	0	10	8	6	2	5	4	1	6	8	8	1	[229][M+2]+		14	1.73010624527608	0.13765423351272	1	0	0	NA	512543.286288723	886754.340582447	1.73010624527608	0	829288.174081288	114155.027964323	0.13765423351272	0.0795640348033964
M521.2113T251	521.211282569376	521.143562230141	521.284699603462	251.3525	250.551	252.135	38	0	4	8	2	2	2	2	3	6	3	4	2	[230][M]+		243	1.87884069897192	1.15252219573723	1	0	0	NA	167312.110917143	314352.803422033	1.87884069897192	0	71944.2026343787	82917.2903907382	1.15252219573723	0.61342198748828
M521.3619T687	521.361891471033	521.27118616947	521.458231272309	686.734	685.575	687.596	33	0	4	7	2	5	2	5	1	1	2	1	3			7	1.54406922002154	1.48814211671888	1	0	0	NA	58169.7723873863	89818.1550790223	1.54406922002154	0	57769.0506039427	85968.5572465911	1.48814211671888	0.963779406662943
M525.1632T317	525.163213702864	525.024407622917	525.237541926408	317.0145	316.108	318.668	26	0	3	3	2	3	7	4	3	1	0	0	0			99	2.12236846544065	1.63165274146675	1	0	0	NA	92932.3506792879	197236.690500992	2.12236846544065	0	52151.4146963748	85092.9987607092	1.63165274146675	0.768788628381729
M535.125T294	535.125	535.11223851121	535.203320704938	294.097	293.159	295.008	83	0	10	8	8	8	8	8	8	8	8	5	4	[233][M]+		55	0.809068244410783	0.0992530163120928	1	0	0	NA	3163850.61661176	2559771.06396005	0.809068244410783	0	3612257.54776945	358527.457312242	0.0992530163120928	0.122675703808367
M536.1294T294	536.129360203225	536.099567918543	536.1713238065	294.082	290.9	294.627	69	0	10	8	8	8	8	8	2	7	6	0	4	[233][M+1]+		55	0.829442531718761	0.111929295608746	1	0	0	NA	957781.942435555	794425.07916826	0.829442531718761	0	1178907.46067183	131954.281660894	0.111929295608746	0.134945208773906
M537.1414T294	537.14137781098	537.063666405847	537.198318215935	294.075	293.605	294.975	38	0	6	6	5	6	7	7	0	0	1	0	0	[233][M+2]+		55	1.24785853887331	0.893657460566167	1	0	0	NA	183635.7419953	229151.428691171	1.24785853887331	0	220998.785111539	197497.213090986	0.893657460566167	0.71615285926003
M539.1574T297	539.157396380796	539.063445881207	539.222625215205	297.198	296.306	298.095	58	0	9	1	4	4	5	6	4	7	6	8	4			34	0.834636884568196	0.414857264308884	1	0	0	NA	475932.465940705	397230.79063761	0.834636884568196	0	543039.047366067	225283.693603189	0.414857264308884	0.497051199125368
M539.1857T292	539.18573211111	539.125	539.329815990965	291.8005	290.461	292.693	84	0	10	6	8	8	8	8	8	8	8	8	4	[234][M]+	[M+K+NH3]+ 483.205 [M+Na+NH3]+ 499.179 [M+H+NH3]+ 521.161	63	0.253215759390374	0.0679666803430307	1	0	0	NA	1185011.66183881	300063.627838965	0.253215759390374	0	1264105.12836567	85917.0291796153	0.0679666803430307	0.268414100712621
M540.1847T292	540.18466170803	540.029680441168	540.246185906118	292.2195	290.913	298.094	68	0	10	0	5	6	3	6	7	7	7	5	2	[234][M+1]+		63	0.82636065746968	0.142560901013646	1	0	0	NA	321614.328896149	265769.428278291	0.82636065746968	0	512110.248711217	73006.8984745937	0.142560901013646	0.172516563712228
M541.1403T315	541.140275132414	541.053059293449	541.238359987029	315.112	313.76	315.759	53	0	10	3	3	2	3	6	3	6	6	8	3			1450	1.34226520376693	0.130110055799435	1	0	0	NA	193331.087577376	259501.591661529	1.34226520376693	0	496553.732671911	64606.6338653602	0.130110055799435	0.0969331957904405
M549.152T320	549.151960594099	549.10614700475	549.23248448486	319.998	319.311	321.137	23	0	4	1	4	5	3	5	0	1	0	0	0			5614	7.32757139104936	1.23004308180469	1	0	0	NA	412994.722163729	3026248.31078132	7.32757139104936	0	62582.1743462977	76978.7705989587	1.23004308180469	0.167865042339566
M551.1415T302	551.141515017244	551.038286553451	551.22231907009	302.342	301.857	303.36	46	0	7	2	6	5	1	3	4	5	8	2	3	[238][M]+	[M+H]+ 550.129	51	1.51290194554745	0.841128744965716	1	0	0	NA	191431.185335078	289616.612731894	1.51290194554745	0	208540.30075718	175409.24145066	0.841128744965716	0.555970429835988
M551.1347T276	551.134728468729	551.112915230531	551.167778621949	275.9845	275.186	276.586	34	0	10	8	1	1	0	2	0	3	8	1	0	[239][M]+		4963	1.97132647531525	0.133905804307021	1	0	0	NA	301810.957370171	594967.93080406	1.97132647531525	0	427842.712692677	57290.6225600104	0.133905804307021	0.0679267518514948
M553.4813T678	553.481332278947	553.403327164485	553.566757559302	677.892	677.387	678.824	23	0	2	1	3	1	3	5	1	3	4	0	0			2406	4.09251725185691	1.83344620771839	1	0	0	NA	94391.8693182182	386300.353619831	4.09251725185691	0	10310.4894725941	18903.727823248	1.83344620771839	0.447999628318365
M557.5175T733	557.517495583002	557.392785650054	557.594206497311	733.354	732.428	734.264	80	0	10	7	8	7	7	8	8	6	7	8	4		[M+H]+ 556.504	41	0.509092102000841	0.234513941182109	1	0	0	NA	297689.498376621	151551.37247213	0.509092102000841	0	332137.969896991	77890.9843367679	0.234513941182109	0.460651305059377
M558.487T733	558.487043092999	558.380480017172	558.595097730777	733.355	732.436	733.819	56	0	8	2	5	2	6	5	6	7	5	6	4		[M+H-CH4]+ 573.509	41	1.04022042335952	0.631273548154477	1	0	0	NA	135413.525670745	140859.915001827	1.04022042335952	0	110516.846367737	69766.3617374043	0.631273548154477	0.606865173936601
M559.5186T966	559.518604201202	559.38514634893	559.617319580037	966.017	965.23	966.619	22	0	4	0	4	2	1	3	1	2	2	3	0			72	2.94157968528948	1.07673828266376	1	0	0	NA	30634.6033925451	90114.127006411	2.94157968528948	0	35024.5022922128	37712.22244927	1.07673828266376	0.366040834470135
M561.4735T966	561.473507111647	561.402898559969	561.62133728874	965.971	965.193	966.55	38	0	4	2	5	4	5	4	1	3	6	2	2		[2M+K]+ 261.249 [M+K]+ 522.514	72	2.7860821051211	1.22091926742096	1	0	0	NA	116234.442247295	323838.699543921	2.7860821051211	0	48183.3389863458	58827.9669371052	1.22091926742096	0.438220849693119
M565.1499T305	565.149924810656	565.086308443134	565.200379458678	304.615	303.888	305.405	41	0	8	8	2	4	2	1	7	5	0	0	4	[240][M]+		286	1.31018177753477	0.604581338402813	1	0	0	NA	167177.391437404	219032.771877084	1.31018177753477	0	174100.659930502	105258.009997596	0.604581338402813	0.461448440796048
M565.2026T259	565.202571173767	565.146055430725	565.25	258.652	257.699	262.807	73	0	10	8	8	6	7	4	7	7	3	8	4	[241][M]+	[M+H]+ 564.193	74	1.44750018240794	0.165795245932891	1	0	0	NA	1427437.01531404	2066215.34004293	1.44750018240794	0	1692201.54799582	280558.971817985	0.165795245932891	0.11453901557172
M565.1974T284	565.197376125728	565.139529222746	565.25	283.977	282.501	288.575	37	0	7	7	1	0	3	1	4	3	3	8	0	[242][M]+		143	2.51293931570716	0.825688782479993	1	0	0	NA	221362.292856087	556270.008733142	2.51293931570716	0	201712.164401374	166551.471435974	0.825688782479993	0.328574899250059
M566.1851T259	566.185139296303	566.10926490207	566.224106021671	258.597	257.719	259.586	45	0	10	8	6	0	1	2	6	4	0	8	0	[241][M+1]+		74	1.60854022916166	0.178867309657286	1	0	0	NA	411525.806280921	661955.814741049	1.60854022916166	0	566059.331702571	101249.50976804	0.178867309657286	0.111198530452986
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M611.1787T272	611.178697217889	611.125	611.226199062796	271.562	270.695	272.382	41	0	10	8	3	0	0	1	1	1	5	8	4		[2M+K]+ 286.118 [M+H-H20]+ 628.194	37	3.23098282351771	0.215214526185089	1	0	0	NA	525410.468992783	1697592.20061207	3.23098282351771	0	826759.925704481	177930.74567931	0.215214526185089	0.0666096163119729
M611.1321T268	611.132129951736	611.077111907184	611.171929598712	268.1325	267.649	268.803	50	0	5	0	7	8	8	7	5	6	0	0	4			202	1.2741861957365	1.233652752887	1	0	0	NA	437138.251074112	556995.525147032	1.2741861957365	0	202230.586983963	249482.320350719	1.233652752887	0.96818876002178
M611.2133T263	611.213270387482	611.168283387923	611.279084188414	262.956	262.219	263.549	41	0	4	1	4	7	8	3	2	6	0	2	4	[259][M]+		6050	1.71358543453884	1.127839316668	1	0	0	NA	155076.338791566	265736.555394838	1.71358543453884	0	50586.7378167572	57053.7118117148	1.127839316668	0.658175130305964
M611.2367T253	611.236670925115	611.189072282833	611.291339359145	253.334	252.736	254.316	30	0	10	1	0	0	0	0	3	1	7	8	0	[260][M]+		194	2.06712597972669	0.145192163773376	1	0	0	NA	131174.897078242	271155.037638409	2.06712597972669	0	207947.733519686	30192.3813814925	0.145192163773376	0.0702386623734335
M612.1437T271	612.143728260829	612.056850504764	612.231378362742	270.908	267.483	272.174	37	0	3	8	1	3	8	3	1	2	4	4	0			37	3.9521093203515	1.66444292640392	1	0	0	NA	368998.602027054	1458322.81426779	3.9521093203515	0	81848.072406324	136231.445156502	1.66444292640392	0.421153058148675
M625.3149T967	625.314907868892	625.206454890569	625.365545377767	967.066	966.08	968.027	38	0	2	1	1	0	4	4	4	6	6	7	3			422	1.60738243503903	1.96271621676587	1	0	0	NA	74232.4036866983	119319.861796725	1.60738243503903	0	11287.7495705985	22154.6491330056	1.96271621676587	1.22106362118995
M627.1644T357	627.164447236839	627.061857913922	627.238331475539	357.101	356.059	358.015	35	0	7	0	4	5	3	5	5	2	1	2	1	[263][M]+	[M+H]+ 626.157	346	1.70856869031385	0.823743165536317	1	0	0	NA	144200.357030212	246376.215153899	1.70856869031385	0	174831.733179627	144016.445325587	0.823743165536317	0.482124698998787
M635.375T1056	635.375	635.28575260078	635.459471525534	1055.89	1055.11	1056.51	39	0	8	8	1	0	7	1	2	4	6	2	0	[264][M]+	[M+K+HCOOH]+ 550.415	45	1.67769809893859	0.574057522497978	1	0	0	NA	77550.1403637468	130105.723060679	1.67769809893859	0	132506.240466252	76066.204117578	0.574057522497978	0.342169740110668
M637.4168T982	637.416771280833	637.375	637.484505258809	982.075	981.468	982.709	45	0	7	3	4	4	4	4	4	4	4	4	3	[265][M]+		391	1.27445141840359	0.795083752637922	1	0	0	NA	129009.555941094	164416.411556745	1.27445141840359	0	79987.2324498137	63596.5489393196	0.795083752637922	0.623863523675042
M641.1639T235	641.163858561428	641.057931354017	641.242112034924	234.6115	233.448	235.458	24	0	2	2	2	4	4	3	3	2	0	0	2			106	3.11787269491391	1.65240591933239	1	0	0	NA	231566.787285821	721995.763127396	3.11787269491391	0	9384.95408026594	15507.7536748941	1.65240591933239	0.529978636404211
M641.3852T398	641.385208859632	641.314103665158	641.475501212343	397.973	396.866	399.507	53	0	5	2	5	7	5	7	7	3	6	2	4	[266][M]+	[M+H-C6H10O4]+ 786.431	96	1.24886712163852	1.39964407157844	1	0	0	NA	461804.502068845	576732.459258431	1.24886712163852	0	187273.145637368	262115.748057188	1.39964407157844	1.12073097876265
M641.3779T299	641.377898879056	641.250646715227	641.466696004201	298.517	297.955	299.461	31	0	4	1	1	6	4	3	0	4	2	6	0	[267][M]+		2113	2.34699325094907	1.33157905080468	1	0	0	NA	160205.993824672	376002.386268095	2.34699325094907	0	54223.6669629988	72203.0989857391	1.33157905080468	0.567355296086267
M642.3764T398	642.376394549901	642.258487374285	642.482115758819	398.014	396.422	398.831	31	0	2	2	2	5	4	3	4	3	4	1	1	[266][M+1]+		96	3.7804952283442	2.00819226325548	1	0	0	NA	149962.221558296	566931.463033034	3.7804952283442	0	36251.8024546174	72800.5892184286	2.00819226325548	0.531198200753988
M725.5339T242	725.533862445493	725.377234877424	725.619062181323	242.478	242.015	243.371	26	0	2	2	3	1	4	2	2	1	4	4	1			27	8.01084074993095	2.11402129858458	1	0	0	NA	2689159.78826608	21542430.8149176	8.01084074993095	0	44093.9813755757	93215.6157673589	2.11402129858458	0.263895059779188
M726.0061T243	726.006089713558	725.875318049518	726.124636109136	242.902	242.455	243.81	25	0	6	6	1	1	0	3	1	4	1	2	0	[271][M]+	[M+K]+ 687.038	27	2.14467235394618	1.11554731235193	1	0	0	NA	84288.4112694532	180771.025407642	2.14467235394618	0	109714.256142412	122391.443566359	1.11554731235193	0.520148129060054
M731.0375T243	731.037544068433	730.886272619534	731.124372403739	242.912	242.037	243.81	50	0	6	5	6	3	5	4	2	6	7	4	2		[M+K+CF3COOH]+ 558.094	27	1.2314740644481	1.25112141124345	1	0	0	NA	201628.424972635	248300.176009321	1.2314740644481	0	131821.94095662	164925.252802497	1.25112141124345	1.01595433258609
M732.1165T243	732.116453392047	732.005839144308	732.241334860013	242.902	242.438	243.811	23	0	2	3	3	2	0	2	1	1	6	3	0	[272][M]+	[M+K]+ 693.152	27	3.33664927097683	1.9897173401719	1	0	0	NA	53395.6462946824	178162.544282488	3.33664927097683	0	14473.3005674157	28797.7771085068	1.9897173401719	0.596321992089205
M787.437T398	787.437009570694	787.290283117844	787.495028103945	398.203	397.285	399.083	73	0	9	4	6	7	7	8	7	8	6	7	4	[275][M]+	[M+H]+ 786.431	96	0.660893507047569	0.428900761083981	1	0	0	NA	981104.896107253	648405.855569863	0.660893507047569	0	1062519.76595601	455715.536285305	0.428900761083981	0.648971061918922
M788.4296T398	788.429613274795	788.318271208277	788.489897670296	398.1945	396.875	399.54	68	0	8	2	6	8	8	7	7	7	7	5	3	[275][M+1]+		96	0.884432075602014	0.659184068564954	1	0	0	NA	453296.545240909	400910.00437064	0.884432075602014	0	473024.702241472	311810.34775526	0.659184068564954	0.745319043428249
M789.4071T398	789.407058712579	789.32614636362	789.487394315868	398.195	396.85	399.507	35	0	3	2	5	5	4	4	6	2	2	1	1		[2M+K]+ 375.219	96	2.66139436310061	1.5680476067695	1	0	0	NA	163351.892523382	434743.805963544	2.66139436310061	0	57494.0300411423	90153.376209547	1.5680476067695	0.589182733874388
M803.4209T379	803.420947580372	803.26769668974	803.493868743379	379.109	376.467	380.761	30	0	2	0	2	5	3	3	3	4	2	3	1			267	2.42476945506291	1.98436860467966	1	0	0	NA	58849.6635819202	142696.866694168	2.42476945506291	0	16676.9996059248	33093.3144382522	1.98436860467966	0.818374134718789
M897.0021T280	897.002065550904	896.884643718108	897.112695758311	279.908	278.787	281.268	31	0	1	0	7	3	5	3	2	5	0	3	2	[279][M]+	[M+Na]+ 874.006	35	3.86316224438694	2.44948974278318	1	0	0	NA	991652.962115831	3830916.28278035	3.86316224438694	0	41467.084382041	101573.197856934	2.44948974278318	0.634063388443551