metabolite_name	160627_Smp_1R1	160627_Smp_1R2	160627_Smp_1R3	160627_Smp_2R1	160627_Smp_2R2	160627_Smp_2R3	160627_Smp_3R1	160627_Smp_3R2	160627_Smp_3R3	160627_Smp_4R1	160627_Smp_4R2	160627_Smp_4R3	160627_Smp_5R1	160627_Smp_5R2	160627_Smp_5R3	160627_Smp_6R1	160627_Smp_6R2	160627_Smp_6R3	160627_Smp_7R1	160627_Smp_7R2	160627_Smp_7R3	160627_Smp_8R1	160627_Smp_8R2	160627_Smp_8R3	160627_Smp_9R1	160627_Smp_9R2	160627_Smp_9R3	160627_Smp_10R1	160627_Smp_10R2	160627_Smp_10R3	160705_Smp_11R1	160711_Smp_11R2	160711_Smp_11R3	160705_Smp_12R1	160705_Smp_12R2	160711_Smp_12R3	160705_Smp_13R1	160705_Smp_13R2	160705_Smp_13R3	160705_Smp_14R1	160705_Smp_14R2	160711_Smp_14R3	160705_Smp_15R1	160705_Smp_15R2	160705_Smp_15R3	160705_Smp_16R2	160711_Smp_16R2	160705_Smp_16R3	160705_Smp_17R1	160705_Smp_17R2	160705_Smp_17R3	160705_Smp_18R1	160711_Smp_18R2	160711_Smp_18R3	160705_Smp_19R1	160705_Smp_19R2	160705_Smp_19R3	160705_Smp_20R1	160705_Smp_20R2	160705_Smp_20R3
DHPS	56.94795283	528.9746278	432.1114514	315.9243128	771.5035124	1527.930893	1761.605319	5043.952082	666.9055094	2311.33937	2421.629807	3715.430896	2425.434621	731.5779973	2816.277015	1154.30698	444.525155	399.4464836	285.4659072	915.7151023	251.411925	925.0540205	486.9237334	808.8758561	723.5173695	762.4252386	1510.949359	1935.683896	2449.279741	1981.820185	764.6915431	1526.639718	623.0697266	244.6109111	340.7277897	454.2257133	766.4159003	1248.89011	774.0784143	967.5876163	1044.291434	1562.457741	2604.585581	1908.679981	881.9678869	2907.226097	1856.918435	1142.237155	3189.594547	910.1565079	906.4405015	1142.444503	1512.726533	1117.889267	552.5665645	331.2208966	933.4392525	876.7842782	817.6615327	823.8373198
cysteate	4.42150735	0.493252234	3.071355759	7.601563502	4.291812327	0.59220784	7.195938152	0.466944595	6.103194309	2.901024962	3.365803459	4.24931929	2.863949006	3.805281032	6.984769837	6.801304379	3.93076458	4.389458736	10.76519375	4.64638494	2.524962454	2.046432274	4.050739419	1.066195591	4.955455603	6.113573586	16.05850215	0.672709718	2.504253942	0.439942725	0.615695514	0.83701223	2.432993222	0.90770841	0.192485797	0.967525546	0.20766468	5.133370169	0.350299746	4.649492982	0.510718795	11.48697194	3.442103897	2.632167382	0.128673113	5.188074348	1.56515786	1.734863939	4.016191644	1.937820637	0.304760344	0.150553431	2.997014152	7.039614628	0.630429153	2.563754228	0.816205346	1.148483024	0.511726721	3.543761792
sulfolactate	2.64564139	3.587628714	6.45068142	4.005653025	3.718889594	6.248777504	4.320685061	12.42104062	2.872351591	2.753558414	3.607932411	6.069351816	3.317884741	4.609132345	3.482213055	3.389648972	1.722947369	2.997936751	10.67553257	5.046443107	4.411354679	3.276076874	3.581210358	0.99445302	9.591438291	4.437518207	3.828772662	6.825599459	4.918702792	6.972932708	7.087634992	2.022817022	3.958476832	3.272351393	8.337265275	5.831409327	7.280148564	5.904366485	4.225991036	4.440721368	9.747186064	11.29105656	8.84309221	9.654764998	4.756581411	4.844078345	10.26292506	4.062721247	6.505647497	3.40500797	5.236675522	7.509148151	7.723110928	3.502476251	7.467599685	6.631691437	5.745128186	12.68687597	7.728680776	3.926664805
isethionate	3.57130745	14.57463601	10.48121116	12.60354513	31.42081533	19.56112543	33.7398591	55.227529	45.78464072	49.9553101	50.08233631	50.60148759	53.9987569	24.98670242	78.72981307	30.07656056	14.74463426	17.20468275	11.30005387	20.70313636	12.80935553	22.57246057	17.14279594	30.54924884	36.43275923	29.66948085	43.54726592	79.32737525	46.83273625	45.98212367	15.5138205	23.66934959	15.3436	5.890608305	5.349148912	9.084205001	10.50018035	18.37764132	10.86283436	27.97461135	16.22393757	24.93664596	36.30487052	28.40422552	13.64287384	32.45720749	28.68313529	11.48047733	28.70796426	9.335329153	12.56717202	13.91849507	15.29205953	18.45363768	8.739684015	7.428639067	16.40930572	9.324601426	13.59218892	11.75822248
taurine	19.06741488	54.78992	42.90228318	209.0268326	65.65171471	51.14880631	71.7303287	94.6193868	114.7706263	135.1765251	104.2630367	80.3175271	82.99041287	73.44569172	208.5850659	68.07036549	51.50888103	69.5689167	175.5882999	51.23440121	81.19439348	118.2203432	51.21551633	102.4723268	73.81195759	89.39214113	80.17884137	168.2177379	67.60108113	135.0971105	43.03155902	83.37464891	70.97391723	23.49620747	25.91095061	58.72841712	27.876123	71.98003113	48.71561299	268.4904516	59.09990674	64.62149655	152.3213075	61.50679103	65.48143843	105.4970911	114.3649794	43.74116977	84.96052293	75.44261176	119.4628531	62.35730826	88.78884601	92.26232831	56.83907049	52.27952021	64.09451371	67.00346509	81.20699925	61.

metabolite_name	KEGG ID	quantitated m/z
DHPS	C19675	155.0011
cysteate	C00506	167.9966
sulfolactate	C16069	168.9812
isethionate	C05123	124.9904
taurine	C00245	124.0064