annotate test-data/faahOK.xset.group.retcor.group.fillPeaks.annotate.positive.combinexsAnnos.variableMetadata.tsv @ 4:87570e9b71f5 draft

planemo upload commit 9d47e3b467dbbe0af0d90a937c5e9f2c4b958c4b

name	mz	mzmin	mzmax	rt	rtmin	rtmax	npeaks	KO	WT	isotopes	adduct	pcgroup	isotopes.1	adduct.1	pcgroup.1	neg. Mode
M208T3291	207.800003051758	207.800003051758	207.800003051758	3291.29196703023	3291.29196703023	3291.29196703023	1	1	0			2102		[M+H]+ 206.793	2102	Found [M+H]+/[M-H]-
M210T3110	210.199996948242	210.199996948242	210.199996948242	3110.11088685014	3110.11088685014	3110.11088685014	1	1	0			5340		[M+H]+ 209.193	5340	Found [M+H]+/[M-H]-
M228T3846	228.199996948242	228.199996948242	228.199996948242	3846.02686621606	3844.71679072309	3847.33694170903	2	1	1		[M+H-C6H8O6]+ 403.216 [M+2H-NH3]2+ 471.41	21		[M+H]+ 227.193	21	Found [M+H]+/[M-H]-
M235T3976	234.900009155273	234.900009155273	234.900009155273	3976.03175698205	3976.03175698205	3976.03175698205	1	0	1			2000		[M+H]+ 233.893	2000	Found [M+H]+/[M-H]-
M236T3873	236.199996948242	236.199996948242	236.199996948242	3872.50458166888	3872.50458166888	3872.50458166888	1	0	1			2733		[M+H]+ 235.193	2733	Found [M+H]+/[M-H]-
M238T2755	238.199996948242	238.199996948242	238.199996948242	2754.64826033204	2754.64826033204	2754.64826033204	1	0	1			4595		[M+H]+ 237.193	4595	Found [M+H]+/[M-H]-
M239T4130	239	239	239	4130.33844192957	4130.33844192957	4130.33844192957	1	0	1			1473		[M+H]+ 237.993	1473	Found [M+H]+/[M-H]-
M250T4052	250.199996948242	250.199996948242	250.199996948242	4051.60950608857	4051.60950608857	4051.60950608857	1	1	0			77		[M+H]+ 249.193	77	Found [M+H]+/[M-H]-
M258T3448	258.200012207031	258.200012207031	258.200012207031	3448.2651342683	3446.56346688244	3449.96680165415	2	1	1			2922		[M+H]+ 257.193	2922	Found [M+H]+/[M-H]-
M261T2686	261.200012207031	261.200012207031	261.200012207031	2685.68075810517	2685.68075810517	2685.68075810517	1	0	1			640		[M+H]+ 260.193	640	Found [M+H]+/[M-H]-
M266T3323	266.399993896484	266.399993896484	266.399993896484	3322.77149725563	3322.77149725563	3322.77149725563	1	0	1			16		[M+H]+ 265.393	16	Found [M+H]+/[M-H]-
M275T2920	275.200012207031	275.200012207031	275.200012207031	2920.28496696996	2920.28496696996	2920.28496696996	1	0	1			2868		[M+H]+ 274.193	2868	Found [M+H]+/[M-H]-
M276T3867_1	275.899993896484	275.899993896484	275.899993896484	3866.89893599656	3866.89893599656	3866.89893599656	1	1	0			21		[M+H]+ 274.893	21	Found [M+H]+/[M-H]-
M276T2603	276.200012207031	276.200012207031	276.200012207031	2602.85397459635	2602.85397459635	2602.85397459635	1	1	0			5243		[M+H]+ 275.193	5243	Found [M+H]+/[M-H]-
M284T3653	284.100006103516	284.100006103516	284.100006103516	3652.85708680252	3652.85708680252	3652.85708680252	1	1	0		[M+H-CH3]+ 298.114	47		[M+H]+ 283.093	47	Found [M+H]+/[M-H]-
M287T4128	287.100006103516	287.100006103516	287.100006103516	4128.44542811787	4128.44542811787	4128.44542811787	1	1	0			23		[M+H]+ 286.093	23	Found [M+H]+/[M-H]-
M304T3912	304	304	304	3911.73383581848	3911.73383581848	3911.73383581848	1	0	1			4817		[M+H]+ 302.993	4817	Found [M+H]+/[M-H]-
M304T2622	304	304	304	2621.82968780046	2621.82968780046	2621.82968780046	1	0	1			2642		[M+H]+ 302.993	2642	Found [M+H]+/[M-H]-
M310T3484	310.200012207031	310.200012207031	310.200012207031	3483.91470694154	3483.91470694154	3483.91470694154	1	1	0		[M+H-H20]+ 327.208	31		[M+H]+ 309.193	31	Found [M+H]+/[M-H]-
M311T3667	311.200012207031	311.200012207031	311.200012207031	3667.39351291676	3667.39351291676	3667.39351291676	1	1	0		[M+H]+ 310.189	2		[M+H]+ 310.189	2	Found [M+H]+/[M-H]-
M317T4122	317	317	317	4122.17726376076	4122.17726376076	4122.17726376076	1	1	0			1716		[M+H]+ 315.993	1716	Found [M+H]+/[M-H]-
M319T3963	319.300018310547	319.300018310547	319.300018310547	3963.24477198361	3963.24477198361	3963.24477198361	1	0	1			1982		[M+H]+ 318.293	1982	Found [M+H]+/[M-H]-
M326T3910	326.300018310547	326.300018310547	326.300018310547	3910.16592439504	3910.16592439504	3910.16592439504	1	0	1			4822		[M+H]+ 325.293	4822	Found [M+H]+/[M-H]-
M329T3539	329	329	329	3538.57945160982	3538.57945160982	3538.57945160982	1	0	1			1952		[M+H]+ 327.993	1952	Found [M+H]+/[M-H]-
M330T3500	330.200012207031	330.200012207031	330.200012207031	3500.20040677211	3496.75308645138	3503.64772709283	2	1	1		[2M+Na+K]2+ 299.215	76		[M+H]+ 329.193	76	Found [M+H]+/[M-H]-
M333T3521	333	333	333	3520.57714024828	3520.57714024828	3520.57714024828	1	0	1			368		[M+H]+ 331.993	368	Found [M+H]+/[M-H]-
M341T3309	341.200012207031	341.200012207031	341.200012207031	3308.58072998214	3308.58072998214	3308.58072998214	1	0	1			4		[M+H]+ 340.193	4	Found [M+H]+/[M-H]-
M341T4172	341.399993896484	341.399993896484	341.399993896484	4172.42311655854	4172.42311655854	4172.42311655854	1	1	0			4369		[M+H]+ 340.393	4369	Found [M+H]+/[M-H]-
M342T3038	342.300018310547	342.300018310547	342.300018310547	3038.15131755569	3038.15131755569	3038.15131755569	1	0	1			3220		[M+H]+ 341.293	3220	Found [M+H]+/[M-H]-
M345T3788	345	345	345	3788.06929478123	3788.06929478123	3788.06929478123	1	0	1			4445		[M+H]+ 343.993	4445	Found [M+H]+/[M-H]-
M348T3493	348.200012207031	348.200012207031	348.200012207031	3493.19473595505	3488.78600287563	3495.99683372091	3	1	2			31		[M+H]+ 347.193	31	Found [M+H]+/[M-H]-
M349T4038	348.899993896484	348.899993896484	348.899993896484	4038.4655434023	4038.4655434023	4038.4655434023	1	0	1			3765		[M+H]+ 347.893	3765	Found [M+H]+/[M-H]-
M350T3215	350	350	350	3214.6396934876	3214.6396934876	3214.6396934876	1	1	0			4315		[M+H]+ 348.993	4315	Found [M+H]+/[M-H]-
M350T3484	350.200012207031	350.200012207031	350.200012207031	3484.15058009239	3484.15058009239	3484.15058009239	1	0	1	[41][M]+	[M+Na]+ 327.208	31	[41][M]+	[M+H]+ 349.193	31	Found [M+H]+/[M-H]-
M354T4176	354.300018310547	354.300018310547	354.300018310547	4176.48836940693	4176.48836940693	4176.48836940693	1	0	1			4388		[M+H]+ 353.293	4388	Found [M+H]+/[M-H]-
M361T3500	361	361	361	3499.90373818767	3499.90373818767	3499.90373818767	1	1	0			3374		[M+H]+ 359.993	3374	Found [M+H]+/[M-H]-
M362T3394	362.300018310547	362.300018310547	362.300018310547	3394.46678522768	3394.46678522768	3394.46678522768	1	0	1			502		[M+H]+ 361.293	502	Found [M+H]+/[M-H]-
M363T3890	363	363	363	3889.77519285019	3889.77519285019	3889.77519285019	1	0	1			2235		[M+H]+ 361.993	2235	Found [M+H]+/[M-H]-
M369T4287	369.100006103516	369.100006103516	369.100006103516	4286.86322276304	4286.86322276304	4286.86322276304	1	1	0			6094		[M+H]+ 368.093	6094	Found [M+H]+/[M-H]-
M371T4218	371.300018310547	371.300018310547	371.300018310547	4217.96617539246	4217.96617539246	4217.96617539246	1	1	0			5327		[M+H]+ 370.293	5327	Found [M+H]+/[M-H]-
M372T4221	372.300018310547	372.300018310547	372.300018310547	4221.33434899811	4221.33434899811	4221.33434899811	1	0	1			5985		[M+H]+ 371.293	5985	Found [M+H]+/[M-H]-
M375T2994	375.200012207031	375.200012207031	375.200012207031	2994.06985896253	2994.06985896253	2994.06985896253	1	0	1			32		[M+H]+ 374.193	32	Found [M+H]+/[M-H]-
M378T3345	377.899993896484	377.899993896484	377.899993896484	3344.8775026371	3344.8775026371	3344.8775026371	1	1	0			802		[M+H]+ 376.893	802	Found [M+H]+/[M-H]-
M396T4099	396.300018310547	396.300018310547	396.300018310547	4098.66503647187	4098.66503647187	4098.66503647187	2	1	0			150		[M+H]+ 395.293	150	Found [M+H]+/[M-H]-
M399T3288	399	399	399	3287.55118520376	3287.55118520376	3287.55118520376	1	0	1			2111		[M+H]+ 397.993	2111	Found [M+H]+/[M-H]-
M404T2691	404.100006103516	404.100006103516	404.100006103516	2690.57128216482	2690.57128216482	2690.57128216482	1	0	1		[M+H-H20]+ 421.11	6		[M+H]+ 403.093	6	Found [M+H]+/[M-H]-
M406T3575	406	406	406	3574.63014348789	3574.63014348789	3574.63014348789	1	0	1			1668		[M+H]+ 404.993	1668	Found [M+H]+/[M-H]-
M408T3956	408.300018310547	408.300018310547	408.300018310547	3955.84913291293	3955.84913291293	3955.84913291293	1	1	0			5459		[M+H]+ 407.293	5459	Found [M+H]+/[M-H]-
M413T4059	413	413	413	4059.4167690378	4059.4167690378	4059.4167690378	1	0	1			4700		[M+H]+ 411.993	4700	Found [M+H]+/[M-H]-
M415T3626	415.200012207031	415.200012207031	415.200012207031	3625.889727528	3625.889727528	3625.889727528	1	1	0			26		[M+H]+ 414.193	26	Found [M+H]+/[M-H]-
M418T3317	418.399993896484	418.399993896484	418.399993896484	3316.91873178114	3316.91873178114	3316.91873178114	1	0	1			539		[M+H]+ 417.393	539	Found [M+H]+/[M-H]-
M420T4187	420.399993896484	420.399993896484	420.399993896484	4186.55782122692	4186.55782122692	4186.55782122692	1	1	0			6064		[M+H]+ 419.393	6064	Found [M+H]+/[M-H]-
M424T3310	424.399993896484	424.399993896484	424.399993896484	3310.1554922049	3310.1554922049	3310.1554922049	1	0	1			541		[M+H]+ 423.393	541	Found [M+H]+/[M-H]-
M440T4055	440.300018310547	440.300018310547	440.300018310547	4055.33424681125	4054.35262823827	4056.31586538424	2	2	0		[M+H]+ 439.295	77		[M+H]+ 439.295	77	Found [M+H]+/[M-H]-
M441T4111	441.100006103516	441.100006103516	441.100006103516	4111.42132545829	4111.42132545829	4111.42132545829	1	0	1		[M+K]+ 402.132	43		[M+H]+ 440.093	43	Found [M+H]+/[M-H]-
M441T4127_2	441.100006103516	441.100006103516	441.100006103516	4126.89956529202	4126.89956529202	4126.89956529202	1	0	1		[M+Na]+ 418.1	23		[M+H]+ 440.093	23	Found [M+H]+/[M-H]-
M443T3159	443	443	443	3158.51557850104	3158.51557850104	3158.51557850104	1	1	0			838		[M+H]+ 441.993	838	Found [M+H]+/[M-H]-
M445T4143	444.899993896484	444.899993896484	444.899993896484	4142.9532295589	4142.9532295589	4142.9532295589	1	0	1			4236		[M+H]+ 443.893	4236	Found [M+H]+/[M-H]-
M446T2893	446.200012207031	446.200012207031	446.200012207031	2892.58722465327	2892.58722465327	2892.58722465327	1	1	0		[M+Na]+ 423.211	95		[M+H]+ 445.193	95	Found [M+H]+/[M-H]-
M447T4144	446.899993896484	446.899993896484	446.899993896484	4143.9632134336	4143.9632134336	4143.9632134336	1	0	1			5839		[M+H]+ 445.893	5839	Found [M+H]+/[M-H]-
M447T4119	447.100006103516	447.100006103516	447.100006103516	4119.30268860621	4119.30268860621	4119.30268860621	1	0	1			120		[M+H]+ 446.093	120	Found [M+H]+/[M-H]-
M453T3745	453.100006103516	453.100006103516	453.100006103516	3745.49127859189	3745.49127859189	3745.49127859189	1	1	0		[M+H]+ 452.1	14		[M+H]+ 452.1	14	Found [M+H]+/[M-H]-
M461T3139	461.100006103516	461.100006103516	461.100006103516	3139.30178915582	3139.30178915582	3139.30178915582	1	0	1		[2M+Na+K-H]+ 200.089	67		[M+H]+ 460.093	67	Found [M+H]+/[M-H]-
M462T2597	461.899993896484	461.899993896484	461.899993896484	2596.59397459635	2596.59397459635	2596.59397459635	1	1	0			2880		[M+H]+ 460.893	2880	Found [M+H]+/[M-H]-
M465T4110	465.100006103516	465.100006103516	465.100006103516	4109.84516095031	4106.73892937947	4109.84516095031	3	0	2		[M+H-CO]+ 492.092	43		[M+H]+ 464.093	43	Found [M+H]+/[M-H]-
M469T4110	469	469	469	4109.84004353069	4109.84004353069	4109.84004353069	1	0	1			43		[M+H]+ 467.993	43	Found [M+H]+/[M-H]-
M482T3312	482.200012207031	482.200012207031	482.200012207031	3311.84592526338	3310.1554922049	3320.00602941677	3	1	2			4		[M+H]+ 481.193	4	Found [M+H]+/[M-H]-
M486T3726_2	486	486	486	3725.70378168979	3723.46990095085	3727.93766242873	2	1	1			4683		[M+H]+ 484.993	4683	Found [M+H]+/[M-H]-
M486T3654	486.100006103516	486.100006103516	486.100006103516	3654.3034227609	3654.3034227609	3654.3034227609	1	0	1			2410		[M+H]+ 485.093	2410	Found [M+H]+/[M-H]-
M493T2872	493	493	493	2872.43169931851	2872.43169931851	2872.43169931851	1	0	1			4766		[M+H]+ 491.993	4766	Found [M+H]+/[M-H]-
M494T3069	494.300018310547	494.300018310547	494.300018310547	3069.1084825778	3069.1084825778	3069.1084825778	1	1	0			48		[M+H]+ 493.293	48	Found [M+H]+/[M-H]-
M495T3465	495	495	495	3465.11864061023	3465.11864061023	3465.11864061023	1	1	0			1283		[M+H]+ 493.993	1283	Found [M+H]+/[M-H]-
M518T3975	518	518	518	3975.06650309073	3975.06650309073	3975.06650309073	1	1	0			2059		[M+H]+ 516.993	2059	Found [M+H]+/[M-H]-
M520T4132	520.400024414062	520.400024414062	520.400024414062	4131.5173144866	4131.5173144866	4131.5173144866	1	1	0		[M+H]+ 519.397	23		[M+H]+ 519.397	23	Found [M+H]+/[M-H]-
M522T2525	522	522	522	2524.60597459635	2524.60597459635	2524.60597459635	1	1	0		[M+H]+ 520.991	5042		[M+H]+ 520.991	5042	Found [M+H]+/[M-H]-
M528T4044	528.299987792969	528.299987792969	528.299987792969	4043.65478609327	4043.65478609327	4043.65478609327	1	0	1			106		[M+H]+ 527.293	106	Found [M+H]+/[M-H]-
M534T2893_1	534	534	534	2893.43940086615	2893.43940086615	2893.43940086615	1	0	1			95		[M+H]+ 532.993	95	Found [M+H]+/[M-H]-
M534T3169	534.299987792969	534.299987792969	534.299987792969	3169.25148487446	3169.25148487446	3169.25148487446	1	1	0			791		[M+H]+ 533.293	791	Found [M+H]+/[M-H]-
M539T2671	538.900024414062	538.900024414062	538.900024414062	2671.01298815173	2671.01298815173	2671.01298815173	1	1	0			4057		[M+H]+ 537.893	4057	Found [M+H]+/[M-H]-
M541T2916	541.200012207031	541.200012207031	541.200012207031	2915.96882550519	2915.96882550519	2915.96882550519	1	1	0			56		[M+H]+ 540.193	56	Found [M+H]+/[M-H]-
M542T4146	542.5	542.5	542.5	4145.51429793861	4145.51429793861	4145.51429793861	1	0	1			219		[M+H]+ 541.493	219	Found [M+H]+/[M-H]-
M545T3858	545	545	545	3857.79163814401	3857.79163814401	3857.79163814401	1	1	0			1418		[M+H]+ 543.993	1418	Found [M+H]+/[M-H]-
M546T3196	546.200012207031	546.200012207031	546.200012207031	3196.03297484936	3194.01201990731	3198.0539297914	2	1	1		[M+H]+ 545.2	30		[M+H]+ 545.2	30	Found [M+H]+/[M-H]-
M546T3373	546.299987792969	546.299987792969	546.299987792969	3372.50532490707	3372.50532490707	3372.50532490707	1	0	1			1591		[M+H]+ 545.293	1591	Found [M+H]+/[M-H]-
M547T2882	546.900024414062	546.900024414062	546.900024414062	2881.52679761665	2881.52679761665	2881.52679761665	1	1	0			131		[M+H]+ 545.893	131	Found [M+H]+/[M-H]-
M547T2930	546.900024414062	546.900024414062	546.900024414062	2929.96472679346	2929.96472679346	2929.96472679346	1	0	1			3632		[M+H]+ 545.893	3632	Found [M+H]+/[M-H]-
M548T4180_2	548.100036621094	548.100036621094	548.100036621094	4180.12028828767	4180.12028828767	4180.12028828767	1	1	0			6024		[M+H]+ 547.093	6024	Found [M+H]+/[M-H]-
M551T3507	551.100036621094	551.100036621094	551.100036621094	3507.17741350176	3507.17741350176	3507.17741350176	1	1	0			76		[M+H]+ 550.093	76	Found [M+H]+/[M-H]-
M552T3631	552.299987792969	552.299987792969	552.299987792969	3630.7372705795	3630.7372705795	3630.7372705795	1	0	1			2359		[M+H]+ 551.293	2359	Found [M+H]+/[M-H]-
M552T3836	552.400024414062	552.400024414062	552.400024414062	3835.51794589405	3835.51794589405	3835.51794589405	1	0	1			3360		[M+H]+ 551.393	3360	Found [M+H]+/[M-H]-
M552T2806	552.5	552.5	552.5	2805.77058037431	2805.77058037431	2805.77058037431	1	0	1			154		[M+H]+ 551.493	154	Found [M+H]+/[M-H]-
M555T2628	554.799987792969	554.799987792969	554.799987792969	2628.03802468566	2628.03802468566	2628.03802468566	1	1	0			2677		[M+H]+ 553.793	2677	Found [M+H]+/[M-H]-
M560T3524	560.100036621094	560.100036621094	560.100036621094	3524.45539948538	3524.45539948538	3524.45539948538	1	1	0			363		[M+H]+ 559.093	363	Found [M+H]+/[M-H]-
M561T3500	560.900024414062	560.900024414062	560.900024414062	3499.5907337547	3499.5907337547	3499.5907337547	1	0	1			3396		[M+H]+ 559.893	3396	Found [M+H]+/[M-H]-
M566T2712	566	566	566	2712.46713466996	2712.46713466996	2712.46713466996	1	1	0			2531		[M+H]+ 564.993	2531	Found [M+H]+/[M-H]-
M567T2630	566.799987792969	566.799987792969	566.799987792969	2629.63309270258	2629.63309270258	2629.63309270258	1	1	0			2685		[M+H]+ 565.793	2685	Found [M+H]+/[M-H]-
M570T3689	570.5	570.5	570.5	3689.29376228834	3689.29376228834	3689.29376228834	1	0	1			617		[M+H]+ 569.493	617	Found [M+H]+/[M-H]-
M572T2893	571.600036621094	571.600036621094	571.600036621094	2892.58722465327	2892.58722465327	2892.58722465327	1	1	0			95		[M+H]+ 570.593	95	Found [M+H]+/[M-H]-
M574T2913	573.700012207031	573.700012207031	573.700012207031	2912.8908895169	2912.8908895169	2912.8908895169	1	1	0		[M+H]+ 572.692	56		[M+H]+ 572.692	56	Found [M+H]+/[M-H]-
M575T2527	574.700012207031	574.700012207031	574.700012207031	2527.16708488001	2527.16708488001	2527.16708488001	1	0	1			5962		[M+H]+ 573.693	5962	Found [M+H]+/[M-H]-
M578T2852	578.299987792969	578.299987792969	578.299987792969	2852.41195305107	2849.90816808503	2854.91573801711	2	1	1			111		[M+H]+ 577.293	111	Found [M+H]+/[M-H]-
M578T3834	578.400024414062	578.400024414062	578.400024414062	3834.20284641246	3834.20284641246	3834.20284641246	1	1	0			3346		[M+H]+ 577.393	3346	Found [M+H]+/[M-H]-
M580T3296	579.5	579.5	579.5	3296.04055494637	3296.04055494637	3296.04055494637	1	1	0			2610		[M+H]+ 578.493	2610	Found [M+H]+/[M-H]-
M582T3848_2	582.5	582.5	582.5	3847.90453079719	3847.90453079719	3847.90453079719	1	1	0		[M+H]+ 581.493	21		[M+H]+ 581.493	21	Found [M+H]+/[M-H]-
M583T3496	583	583	583	3496.27878193711	3496.27878193711	3496.27878193711	1	1	0			3516		[M+H]+ 581.993	3516	Found [M+H]+/[M-H]-
M583T2581	583.400024414062	583.400024414062	583.400024414062	2581.23728676082	2581.23728676082	2581.23728676082	1	1	0			5692		[M+H]+ 582.393	5692	Found [M+H]+/[M-H]-
M584T2539	584.400024414062	584.400024414062	584.400024414062	2538.69097459635	2538.69097459635	2538.69097459635	1	1	0			5558		[M+H]+ 583.393	5558	Found [M+H]+/[M-H]-
M586T2762	585.900024414062	585.900024414062	585.900024414062	2761.59491820405	2761.59491820405	2761.59491820405	1	1	0			94		[M+H]+ 584.893	94	Found [M+H]+/[M-H]-
M592T4176	591.5	591.5	591.5	4175.56395558154	4175.56395558154	4175.56395558154	1	1	0			115		[M+H]+ 590.493	115	Found [M+H]+/[M-H]-
M593T3448	593.299987792969	593.299987792969	593.299987792969	3448.42769567721	3448.42769567721	3448.42769567721	1	0	1			2939		[M+H]+ 592.293	2939	Found [M+H]+/[M-H]-
M596T4172	596.100036621094	596.100036621094	596.100036621094	4172.42311655854	4172.42311655854	4172.42311655854	1	1	0			4425		[M+H]+ 595.093	4425	Found [M+H]+/[M-H]-
M597T2724	596.799987792969	596.799987792969	596.799987792969	2723.73277209484	2723.73277209484	2723.73277209484	1	0	1			2540		[M+H]+ 595.793	2540	Found [M+H]+/[M-H]-
M598T2738	597.799987792969	597.799987792969	597.799987792969	2737.68724200948	2737.68724200948	2737.68724200948	1	0	1			4444		[M+H]+ 596.793	4444	Found [M+H]+/[M-H]-
M598T3811	598.299987792969	598.299987792969	598.299987792969	3810.99738439489	3810.99738439489	3810.99738439489	1	1	0			46		[M+H]+ 597.293	46	Found [M+H]+/[M-H]-
M598T3177	598.5	598.5	598.5	3176.86596447828	3176.86596447828	3176.86596447828	1	1	0			801		[M+H]+ 597.493	801	Found [M+H]+/[M-H]-