metabolite_name	12RWPE1_0-1	12RWPE1_0-2	12RWPE1_0-3	12RWPE1_0-4	13RWPE1_0.25-2	13RWPE1_0.25-3	13RWPE1_0.25-4	13RWPE1_4-2	13RWPE1_4-3	13RWPE1_4-4	13RWPE1_12-1	13RWPE1_12-2	13RWPE1_12-3	13RWPE1_12-4	13RWPE1_24-1	13RWPE1_24-2	13RWPE1_24-3	13RWPE1_24-4	13RWPE1_P3-1	13RWPE1_P3-2	13RWPE1_P3-3	13RWPE1_P3-4	12VCaP_0-1	12VCaP_0-2	12VCaP_0-3	12VCaP_0-4	13VCaP_0.25-1	13VCaP_0.25-2	13VCaP_0.25-3	13VCaP_0.25-4	13VCaP_4-1	13VCaP_4-2	13VCaP_4-3	13VCaP_4-4	13VCaP_12-1	13VCaP_12-2	13VCaP_12-3	13VCaP_12-4	13VCaP_24-1	13VCaP_24-2	13VCaP_24-3	13VCaP_24-4	13VCaP_P3-1	13VCaP_P3-2	13VCaP_P3-3	13VCaP_P3-4
3-AP	424808.6816	395157.7919	418790.7508	382971.5318	433676.3795	416869.8742	436457.5858	328602.3373	437609.306	424489.7762	405080.1049	398255.0795	399337.3396	383957.6677	396972.3093	367626.3505	349820.6726	375950.5495	546095.272	589958.5444	588586.0618	568578.7054	380590.9449	403062.7402	429513.7488	445321.5402	420948.8557	410909.0565	408914.2545	408698.5841	454823.2879	435727.1744	379932.6807	412981.2227	410604.495	401340.9412	409884.4372	369113.9019	380068.3766	325272.6235	355928.7757	332970.8114	360379.6387	373039.1773	389576.0259	331544.2781
Spermine_M+0	3475.087327	1330.303654	2007.453678	1781.643005	2408.104169	1607.967582	2729.46046	2623.483945	0	2336.507099	3170.085902	2445.50228	1646.720471	3136.951817	3596.144433	2609.77745	3113.474529	4164.106642	3148.365944	2854.418027	3549.88032	1774.494847	0	4238.546896	7013.623884	1716.149215	13474.47608	8957.960787	6597.457881	6288.358603	14991.83464	11441.82928	0	1923.910581	0	0	1817.160119	1909.514826	3417.120614	2626.73	1639.031713	2254.038478	0	0	0	0
Spermine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2092.805519	0	0	0	2187.442892	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermine_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermine_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermidine_M+0	24561.79668	17906.43638	19658.06004	19880.74417	12209.47762	9869.294675	16405.66325	22684.4599	14761.74475	20979.13066	32254.29505	33522.65656	24205.44493	34064.67775	35643.33715	32590.86063	34478.87408	33123.46111	26853.02185	27546.43451	22552.9363	19737.32811	5805.115662	17937.3199	22706.61621	8015.260628	42046.29123	34574.11905	22502.953	21263.65534	52408.62031	54157.7571	35718.6964	40294.24102	20539.08891	24056.61683	27847.88233	38114.9236	37384.2816	20248.21955	25658.62797	32224.98415	28416.22011	26517.91606	15037.27601	16275.66059
Spermidine_M+1	2773.174379	0	2016.116961	2124.28325	2012.504836	0	2907.249508	2324.134031	0	2288.097339	3451.076886	2223.932095	2252.222565	3347.491005	3432.100726	2883.314927	3277.864482	2886.844297	2916.057926	3191.347298	2889.339255	2033.985176	0	1251.238073	1784.639299	0	3355.766243	2626.183985	2430.487251	1810.718538	5080.620199	4483.684705	3564.365201	4260.700366	2460.029664	1969.681547	2901.854522	4555.673246	3491.441995	2438.368167	2699.460996	3685.720526	2860.484111	3549.547002	1245.707661	1309.724885
Spermidine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1867.260011	0	1389.420133	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermidine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermidine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermidine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermidine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Spermidine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Putrescine_M+0	30473.07242	21090.50971	27210.26093	20306.4858	28762.9672	21402.4433	27078.99448	115125.6466	130432.9185	123601.9342	50184.14899	58170.28894	39375.35568	51636.2101	31681.13327	47341.09161	44121.51309	33985.57685	47679.64213	47448.55802	46839.89032	54981.9652	0	5388.266373	7072.628905	4356.858478	13568.71818	14062.54496	13521.10269	0	59074.70511	62722.68816	53740.67221	80406.30058	36393.66273	36848.19982	33601.85229	39714.10915	6946.566235	9123.163478	6946.523283	10272.84876	31202.28911	32668.98813	35056.11071	37646.2168
Putrescine_M+1	2255.046547	0	0	0	0	1785.020025	2344.181717	6641.004526	7593.313068	5842.052273	2853.479395	4856.557248	2310.394032	3836.144678	2618.820885	4548.110806	2436.242988	3519.543405	2340.872368	3516.219582	3138.168325	3180.349003	0	0	0	0	0	0	0	0	3680.658153	3279.343412	3678.08939	4434.4315	2075.175701	1767.408152	0	3134.019244	0	0	0	0	0	0	3279.580795	3487.943863
Putrescine_M+2	0	0	0	0	0	0	0	0	0	0	0	3096.330201	0	0	2288.668644	0	0	0	5433.119499	0	5617.297858	4775.718487	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Putrescine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1748.940803	1698.51792	1228.354753	2198.653059	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Putrescine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N8-Acetylspermidine_M+0	2663.625823	1901.734156	2484.820798	4236.242693	1951.278961	0	4705.795892	6775.034028	5276.049593	5476.655997	2446.820838	2320.70342	1373.777319	2238.860638	2990.242029	2793.063588	3211.881689	2103.973044	8666.22584	1989.574922	2135.780691	2409.998013	3798.744473	2679.342104	2688.165151	2872.932906	3490.156127	4048.670671	3542.78446	1985.390366	2167.140725	2606.63182	2823.244843	3595.50338	5299.780195	4086.445858	4204.410803	3337.795088	1756.758766	1574.666725	1313.468406	4552.521427	4930.179038	6859.71463	3804.407121	4618.371649
N8-Acetylspermidine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N8-Acetylspermidine_M+2	0	0	0	0	0	0	0	1825.366941	0	0	1869.161556	2693.135721	1867.543161	6415.465147	4481.100285	2661.36167	3339.894949	2427.50587	7905.531664	2316.187634	2299.455538	1922.771094	0	0	0	0	0	0	0	0	3319.584347	0	2591.472888	0	4191.961366	4173.417478	3400.085609	3993.19659	2219.987563	2770.963448	3858.795966	1768.307883	5177.616077	2134.481895	5067.964379	4895.824462
N8-Acetylspermidine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N8-Acetylspermidine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N8-Acetylspermidine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N8-Acetylspermidine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N8-Acetylspermidine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N8-Acetylspermidine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N8-Acetylspermidine_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thiamine_M+0	9477.948092	9162.065648	7405.765968	9038.746802	10714.97853	10593.1019	13837.65624	11494.67632	10732.32945	11658.06285	11254.44088	12059.40239	9662.43962	15024.58949	18157.12302	13901.19506	13587.27419	15127.1641	3347.334929	4428.41712	4603.529871	4316.808052	9509.033244	8499.43515	8086.867619	8769.188866	11274.48929	10391.4938	10158.63741	10390.95096	13198.83813	14074.61525	10268.59417	12805.05665	11719.90405	11492.26655	12154.65927	9695.23162	10250.07751	7203.594737	8369.142137	7955.118752	4294.785737	4725.81438	3807.617742	4979.133033
Thiamine_M+1	0	1475.013679	0	1826.750206	1509.254255	0	1930.467629	1291.019562	0	2024.894441	1430.739263	1984.130769	2201.339497	2418.298829	2832.193474	1931.456596	2338.954433	2350.841544	0	0	0	0	1724.181618	0	0	0	1609.314607	2160.164715	1459.406864	1241.083025	2330.180553	1953.596736	1505.944864	2019.239438	1965.370074	1865.436681	2476.188343	0	1370.237802	1437.146615	1293.416867	0	0	0	0	0
Thiamine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thiamine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thiamine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thiamine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thiamine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thiamine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thiamine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thiamine_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thiamine_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thiamine_M+11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thiamine_M+12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ornithine_M+0	95099.48504	75660.61401	79592.91229	82786.53349	98528.11245	89717.39437	109204.5127	80242.81106	91522.9706	88370.76517	108234.7944	102471.708	81636.15852	139874.0374	281529.5895	184559.9716	193482.6108	238372.1153	44094.13688	50387.33484	43344.92602	34328.13683	60820.24506	30453.1777	26675.74525	29467.91594	24504.67443	26741.50395	25726.23301	27027.81865	15519.90967	15479.30245	15345.79034	17164.39089	57287.27493	68756.07643	47548.13635	23349.03444	51000.25775	39275.35144	46789.66805	45329.1083	18535.22791	22030.15833	24504.3977	25027.97255
Ornithine_M+1	6926.706004	4573.751378	5153.943307	5117.23	6934.114617	6493.225195	6710.473047	5946.031527	5958.147991	5581.10701	8283.167574	6548.202995	4864.488931	9534.383244	19526.4928	12399.71999	13522.6233	14857.89468	3435.240838	3479.059794	3598.416778	2626.858062	3955.42113	2170.879785	1920.475775	2797.574173	0	2702.317206	1940.146111	2235.145366	0	0	0	0	3047.523367	4434.497979	3966.240625	1950.800221	3719.406261	2205.043152	2828.476185	3333.401883	0	0	0	1630.152318
Ornithine_M+2	0	0	0	0	0	0	1801.374814	4360.617234	4088.318183	5916.242956	7387.805215	9491.400915	7212.873361	9392.898658	18313.08391	9755.354448	9619.743169	12282.61114	0	0	0	34309.37992	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ornithine_M+3	0	0	0	0	0	0	0	0	0	0	0	2398.844203	0	1370.239833	4178.726118	2155.044748	0	2447.15312	0	0	3902.213996	3133.34879	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ornithine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3122.07959	0	0	1491.891182	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ornithine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Choline_M+0	220083.7604	190930.3675	202250.5784	194229.9482	236216.1855	222336.5144	258140.9541	242001.3186	237709.2118	240437.2509	222572.5331	228343.9431	211226.8259	247031.4052	281883.4684	228657.1979	237270.0197	241813.043	212980.8175	221319.7937	231616.16	182990.9907	414999.8194	317276.5681	351258.6359	373348.9205	413493.398	450995.7515	409782.0558	441108.202	543535.3011	612029.9342	513379.1669	558333.5307	441091.0307	480180.8048	532164.6108	550620.335	606688.0676	484227.7525	478675.8289	469469.1784	343156.9199	342906.643	300947.1188	345168.2548
Choline_M+1	13448.00763	10240.58236	11913.73335	12588.63193	14239.80615	14766.53352	16737.18671	14869.80206	14399.03136	14256.79248	14616.30281	14617.03625	12514.23289	14924.68965	18129.727	13381.46859	13578.4344	13992.46898	12496.81612	13207.96782	13454.32822	11588.06204	25872.2218	18614.36467	19312.91617	23053.85759	23874.20226	27763.80542	24355.22935	27243.17941	33243.38152	34008.11644	30261.83809	30773.83853	27293.46952	27304.93056	30868.1495	31037.9862	34186.2347	28755.02174	29614.11345	28221.8761	20533.12735	20815.91859	18094.40741	20313.05355
Choline_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1740.872799	0	0	0	0	0	0	0	0	1609.369517	0	0	1697.672721	0	0	0	2366.951705	2759.047523	1796.857001	1851.086544	2295.432287	1864.454649	1600.937202	2141.674693	2712.365912	1818.634414	2161.21577	1897.480957	0	0	0	0
Choline_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Choline_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Choline_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Lys_M+0	171370.7401	144111.6306	142712.3146	158823.2895	187347.9789	171615.5371	222713.8954	152753.63	147913.568	143160.3019	161698.6413	149215.8476	143058.4227	172997.3175	279824.4116	166119.0261	181371.4894	211886.8782	87346.44477	93699.69548	83143.38901	75060.83271	134763.8731	87429.00864	93904.75961	106126.0516	109092.2638	102287.2715	107626.8863	109582.3389	100340.5315	116133.9117	97012.92123	114876.8738	113985.366	119815.2517	102577.0462	84083.20753	110525.804	79491.27847	104253.3756	95496.88281	41279.70046	50286.48889	47357.52044	50161.10724
Lys_M+1	12651.76917	12832.50016	11237.20786	11826.84028	13698.97288	13051.22643	17897.73564	11798.12979	11609.59901	11043.4466	12459.02908	11670.71512	11640.06125	12806.14786	20435.35106	12324.14809	15161.9193	15655.24064	6300.976683	6921.26639	6568.38783	6460.684367	10364.18782	6800.937515	6279.863107	8127.682284	8673.157976	8276.596628	7803.622857	8992.598335	7225.536865	7933.271234	7717.696886	8449.681178	8513.679686	8026.551228	8837.899633	6066.80798	9422.713882	6301.176958	8253.583751	8476.386887	3480.819468	4625.777475	3455.588581	4163.703916
Lys_M+2	0	0	0	0	0	2636.128182	0	6727.196909	3544.902143	0	4045.319407	7713.765615	0	0	5712.426616	3856.623509	3122.098804	0	0	0	0	0	0	0	0	2698.99865	3481.588485	0	0	2343.175112	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Lys_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Lys_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Lys_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5489.859565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Lys_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1-Aminocyclopropane-1-carboxylic acid_M+0	4532.921963	3831.196848	4802.287967	3878.869379	0	0	0	0	0	5840.471318	0	0	2808.230409	4502.504793	4357.813313	3701.932167	3852.848691	5084.901505	0	0	0	5002.468777	3652.110646	4343.153955	0	1971.234935	6295.403618	3636.063373	5219.013343	5068.727236	6825.405929	6914.337205	6916.801965	6498.798526	6201.367107	6600.833055	5841.061493	5140.007313	0	3428.606464	0	0	3863.394125	3669.908267	0	0
1-Aminocyclopropane-1-carboxylic acid_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1-Aminocyclopropane-1-carboxylic acid_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1-Aminocyclopropane-1-carboxylic acid_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2296.693112	0	0	0	0	0	0
1-Aminocyclopropane-1-carboxylic acid_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+0	22820.77108	19775.58396	18433.12155	17521.44676	22067.29422	21243.40191	23445.02743	16569.40876	15794.8496	16019.18449	5636.428945	5856.70456	4754.854808	6584.168003	3563.902346	2976.860123	3287.600599	3226.944711	0	0	0	0	18463.50489	15732.12351	18365.2666	14009.17534	35258.74031	19475.34463	18196.64251	20940.62961	27082.08078	27216.74573	24854.60258	26966.5818	9431.105696	9642.170945	9755.923508	8979.71326	2539.750541	0	1988.42751	2716.331443	0	0	0	0
S-Adenosylmethionine_M+1	4127.886725	3673.062675	3568.795658	3394.86949	4374.769376	4809.310233	3762.557194	3000.720829	2978.748397	2501.859808	0	0	0	1433.666113	0	0	0	0	0	0	0	0	3118.741246	3453.318298	3211.468812	2874.279104	6831.712348	2666.903887	3435.472245	3689.300967	4467.245054	5292.827886	4907.445691	5703.123337	0	2454.791028	0	1635.994198	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1418.519414	0	0	1297.068498	0	0	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+5	0	0	0	0	0	0	0	6726.455697	6533.309479	6683.062836	10109.34987	10520.02114	7891.225066	11960.67752	15142.11675	11970.2193	12475.75562	13284.48136	10673.12281	11927.97177	11688.99951	9210.209243	0	0	0	0	0	0	0	0	11335.23582	12607.57804	11658.52524	11482.48923	14488.12829	16490.04897	14243.47767	12428.03763	10267.85129	4140.850456	9966.858838	10638.86782	11462.71952	7980.067342	7103.255646	7709.187336
S-Adenosylmethionine_M+6	0	0	0	0	0	0	0	0	0	0	1312.949625	1430.306486	1906.308118	1941.772381	3524.841625	3650.192661	1735.624782	3856.360238	2942.371596	2737.494809	2877.572673	2605.355647	0	0	0	0	0	0	0	0	2603.409092	2877.487489	2537.030235	2020.516787	2919.555745	4073.726757	4434.928713	3552.968219	4183.124879	0	4139.117184	4106.184201	4018.932502	3308.601967	2771.12266	3561.896029
S-Adenosylmethionine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1196.594307	0	0	0	0	0	0	0
S-Adenosylmethionine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylmethionine_M+15	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Arg_M+0	1463091.577	1181219.662	1188342.247	1213350.252	1293826.984	1206339.615	1601885.922	1223309.902	1176201.289	1213861.856	1526117.531	1432555.648	1160327.139	1684143.015	2667977.657	1452362.847	1616287.822	1986403.638	697538.7921	716497.9032	695804.3687	597810.1507	1136259.546	769895.4856	836076.1409	916544.6508	920433.8731	824406.4174	890676.8537	905271.1471	953242.7683	1071016.946	866257.9434	1015641.63	1072423.923	1005052.546	988244.4943	844974.4498	1493553.2	1100850.613	1313508.857	1186480.999	396035.625	479832.7301	453436.4864	470843.7029
Arg_M+1	99165.94584	86676.75436	83634.78911	87101.26425	89388.10253	84269.49263	111636.1157	90467.52472	86740.68291	88913.82495	109420.049	97916.3944	85755.39929	119948.8491	182843.0226	103607.0992	113873.4444	138240.3788	51451.54602	54362.95093	49211.42782	42336.81711	81391.11566	56948.0287	62635.44544	68633.668	65821.23132	59825.05742	63929.63783	66621.97372	69981.73079	79409.27399	63716.07248	74473.2385	80910.27706	72972.18016	75299.36631	61669.62047	107099.9121	75941.72317	91560.70883	81901.22521	29679.06033	36379.00427	35666.85441	37776.2893
Arg_M+2	10645.54925	7779.074457	10231.29969	9210.96846	8606.429475	8173.466231	0	9870.742201	9236.047386	0	11178.85087	10811.43288	8266.287561	11276.32548	18590.79337	11896.76607	11989.72774	14381.9082	7447.916801	0	9347.116832	5054.168571	8651.569535	7344.079059	6908.783878	8015.423748	7850.485772	6144.807619	7775.131441	7125.725126	7516.672075	8219.325874	4373.580338	7568.516918	8046.646935	7544.270214	7715.60777	7770.250711	9787.326077	8271.487923	9113.995056	7273.559299	3918.180083	4820.397563	3986.639373	4446.115022
Arg_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Arg_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Arg_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Arg_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1936.95133
N6,N6,N6-Trimethyllysine_M+0	2039.419429	2161.413683	2523.201127	2011.019047	1978.96823	2647.207535	3225.61101	2103.199642	0	2171.03996	2749.262251	2079.522896	0	4080.487423	5737.469913	3092.277447	3263.396245	3841.469749	0	0	2898.669267	9155.207791	3178.6852	1572.684604	2186.433806	1474.202003	3187.294554	2175.780745	1714.190137	2253.202419	3115.850256	2544.361024	2036.632596	2146.496822	2682.743162	0	2596.471092	1600.421503	2605.156972	2197.307109	2385.242905	1813.994007	0	0	0	0
N6,N6,N6-Trimethyllysine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N6,N6,N6-Trimethyllysine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N6,N6,N6-Trimethyllysine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N6,N6,N6-Trimethyllysine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N6,N6,N6-Trimethyllysine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N6,N6,N6-Trimethyllysine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N6,N6,N6-Trimethyllysine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N6,N6,N6-Trimethyllysine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N6,N6,N6-Trimethyllysine_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
His_M+0	986035.7751	842334.3286	841069.7217	872768.1952	999884.3241	922502.8546	1234685.495	835231.9973	934335.5483	894335.4575	1069014.003	1041323.818	853554.889	1239925.305	1817176.054	1014559.987	1112093.452	1401618.009	376165.872	380846.4217	397697.428	304369.7495	417893.0337	286114.4931	282462.5853	333529.2489	319335.6527	275797.7758	312878.198	319751.6051	341947.3308	360038.8945	307492.044	354570.4675	401178.6502	356655.7401	342802.3262	260378.5105	552209.9986	353316.8139	473363.8984	424807.3374	110146.897	134161.0553	134662.6465	135808.4697
His_M+1	73156.51357	59455.5136	61085.94085	65856.87525	71314.4071	64063.05763	87403.30496	61708.0751	55578.30917	66932.92001	76989.90788	74169.44946	62442.39316	89228.14265	125029.3566	74495.63624	79538.78065	102785.9954	33619.97783	31793.58703	30498.9965	22098.31867	31994.16449	22766.157	21669.78602	24780.0528	22354.66762	22524.47578	22744.47117	24193.63927	25897.84479	28703.67388	23135.43646	27532.08737	29016.56368	26028.84483	25288.71562	21569.73659	40843.00126	28056.43813	37512.61166	32757.15013	10297.98054	10841.09741	14614.67633	11860.80982
His_M+2	8522.764743	6287.589976	5610.043721	6676.743367	7266.095506	6460.165325	8021.091321	5784.367935	6601.478287	5966.555094	8625.45972	7604.573885	6798.775386	9160.677088	12378.80462	6404.205225	9117.608288	10866.26306	4924.251206	8918.469856	0	3458.007528	2841.749563	2870.975886	3891.235928	2964.219628	2194.302196	0	2630.266913	2826.203926	2709.217244	3089.28568	3381.704033	3084.755037	3813.884763	3159.927732	3385.837227	0	4192.228022	1990.004105	4831.28177	3906.385695	0	0	0	2300.831151
His_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
His_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
His_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
His_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
β-Ala_M+0	17963.1491	18695.55622	0	13390.00346	0	6796.389315	0	12445.68361	0	12168.41824	25479.95744	25247.62721	22883.24922	29791.62286	74016.73013	35426.44918	37371.852	47608.87476	52410.85248	48348.51688	59172.48155	39425.85997	912290.3556	817952.7351	934058.5966	872151.2207	683255.8131	845625.9403	698084.1256	740179.9124	650919.7088	711959.7724	613500.9413	564149.9834	451632.5296	662381.2412	877142.234	687439.9877	1654579.29	1403890.199	1425738.442	1242036.708	450632.6256	484430.195	526661.4604	467604.9163
β-Ala_M+1	0	0	0	10599.25308	0	0	0	0	0	0	0	0	0	0	0	9488.544146	3598.426611	0	0	0	0	0	0	34111.33191	42336.39999	41469.26498	38603.66396	38556.5127	37289.56212	30744.17547	37435.69991	28033.32013	33438.10144	0	27495.33425	0	41842.45536	34229.39441	64401.80413	50723.1627	0	46804.31222	24568.09176	29418.61521	32460.07253	17498.5818
β-Ala_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4677.749482	0	4144.36365	3886.528178	2866.222861	3660.498646	3692.839981	3599.134485	3660.427126	3515.432771	2798.329727	3378.030955	2769.287463	3171.998958	4760.255273	4379.500144	8086.242075	9158.44207	5552.505829	6922.269068	0	3050.820151	2974.364749	3067.755006
β-Ala_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8570.193628	6308.769416	8158.04509	4839.814691	12742.23942	12237.06611	14950.18446	13709.01833
Creatinine_M+0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1986.761188	0	0	1602.230925	2658.808617	0	0	0	3028.952018	0	0	0	2478.828918	4224.198558	1841.77263	1973.938801	0	0	0	0	0	0	0	0	0	0	0	0
Creatinine_M+1	0	0	0	0	0	0	0	0	0	0	0	5718.447523	3712.68799	0	4986.860252	0	4015.562678	3911.657048	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5052.786844	0	0	0	0	0	0	0	0	0
Creatinine_M+2	0	0	0	0	0	3992.519754	0	0	3578.269077	0	3363.41852	0	0	0	4960.327019	0	4059.850832	4854.279366	0	0	0	0	3003.084899	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3809.616548	0	0	0	0	0	0
Creatinine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Creatinine_M+4	0	0	0	0	0	0	0	2318.9927	0	0	0	8632.510572	3059.76986	0	3375.374528	0	11096.14886	8313.223646	0	0	0	0	0	10480.56759	0	0	0	0	0	0	0	2652.952921	0	6863.745086	0	0	0	5981.824773	0	0	0	7572.549365	0	0	0	0
1-Methylnicotinamide_M+0	235736.231	210163.7679	220428.7548	220010.03	218355.9595	193341.2984	244902.8061	221593.6972	234892.508	246164.5311	277050.1278	282579.734	245657.1782	304198.6761	374809.5164	307474.2172	329557.7072	333777.3237	166068.8229	168242.1511	163100.8867	140964.1915	248450.5701	207209.4256	220270.5304	217638.0425	241832.3596	254216.3346	234780.7996	241149.8606	293320.1227	294255.087	280808.396	283496.5729	270724.6599	282547.4021	292494.4901	296420.8223	264467.2158	231815.097	250433.6982	251438.917	155653.4989	149151.4314	140219.754	141596.7878
1-Methylnicotinamide_M+1	17796.79603	18646.24459	18120.63157	18133.45311	17529.59963	15694.80127	21254.00895	19340.44821	19068.77851	19064.52128	22799.25968	20792.06885	20944.41223	26438.44422	32684.22318	28193.95701	29054.96378	29124.98204	12757.44685	13689.54763	15162.13265	13179.96237	22476.63184	16431.69907	19984.31204	19035.94243	21416.21717	20165.9483	20882.56634	19299.19221	25471.63474	24608.31619	23444.11997	22558.48435	23068.78314	23882.19266	24869.73852	24810.70014	20738.36095	18174.31668	21859.53107	19369.30486	14344.55973	13375.30451	12125.33168	12622.11218
1-Methylnicotinamide_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1-Methylnicotinamide_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1-Methylnicotinamide_M+4	0	0	3979.418661	0	0	0	0	0	0	0	2033.867527	0	6137.51188	5475.107282	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1-Methylnicotinamide_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1-Methylnicotinamide_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
1-Methylnicotinamide_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Nicotinamide_M+0	5968.591641	6468.900358	5261.023532	5474.298403	0	2909.957122	3783.416111	3193.634618	0	3400.051586	5749.012352	7770.351305	5761.541672	6996.074305	5685.624762	5157.112251	6860.378095	5247.818865	0	0	10309.67988	0	13482.40138	10760.09654	13140.92533	9679.638446	4351.84283	7771.119533	6914.465291	7221.904585	5450.384067	7735.743005	5732.655478	0	6006.730335	6901.778268	8063.766418	8623.351695	10863.77805	10904.4171	9583.90205	8318.686986	6162.146963	9533.142893	9600.632172	9728.44841
Nicotinamide_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Nicotinamide_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Nicotinamide_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Nicotinamide_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6362.809898	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3526.350366
Nicotinamide_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1799.474937	0	0	0	0	0	0	3136.001827	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Nicotinamide_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenine_M+0	2565.748251	3100.956909	3080.482242	2650.193366	2182.063831	0	3296.341703	0	2764.000841	0	0	2464.281586	0	0	2448.48144	0	3631.354696	0	0	0	0	0	10188.6039	2565.663898	5193.087709	2971.804445	0	4012.566541	3065.8799	3645.932521	0	2416.198238	0	0	0	0	0	2759.126774	3965.518751	1692.763216	0	3634.214297	0	0	0	0
Adenine_M+1	233177.979	207855.5565	218496.4727	219290.8286	212564.0909	191497.2281	241669.0166	219244.605	208477.8226	241137.0377	275030.1658	281346.8427	244027.5454	302898.9565	371532.0147	305770.9833	327565.7244	332935.2126	161741.7841	151350.3866	157833.743	140044.5835	242361.7112	204995.5802	217846.9228	213504.0575	240120.1839	249338.2157	230653.5182	0	290392.7732	290519.7417	275522.8298	282764.6607	269829.5618	280172.9655	292560.919	0	264025.2463	229839.5433	247803.8882	0	152480.4755	0	139457.889	0
Adenine_M+2	17999.09825	16799.0571	17624.62819	0	17704.23992	15699.59366	21935.91587	0	16756.38957	20072.31103	17567.66003	0	0	24361.53023	27164.90688	23026.98705	27227.1089	21997.07015	13712.78201	0	0	0	0	12410.53077	18638.48421	18234.02097	16742.22597	0	18165.19773	0	0	18814.16583	0	18636.17845	22197.04947	23497.23426	23675.48667	0	20917.70924	0	15842.00272	0	0	12733.15753	11359.20751	0
Adenine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
GABA_M+0	37568.80241	38624.46331	47671.19226	27302.84998	9423.192545	7079.568561	12283.52869	12987.62132	10683.25859	12824.87529	80427.07269	92635.76117	82239.58936	116003.8589	149121.2471	108404.5841	116228.1011	118133.7082	35938.0969	47487.61507	40644.63303	33653.25156	335511.0805	300865.5281	364128.8008	307025.6319	231657.9954	314177.586	222959.2436	254246.0967	145572.6218	166118.0627	146149.6579	127771.0949	182831.9795	187168.4797	224459.4729	188066.0586	634456.2422	509339.7552	500760.4619	503457.4476	230584.4093	270376.773	272498.9006	251427.4263
GABA_M+1	2235.524205	0	2905.659948	0	0	0	0	0	0	0	0	5832.777043	5424.629366	6850.824407	9650.624622	6173.458119	6521.559254	7561.898858	0	2734.668153	3052.975708	2522.612836	17429.92933	15823.92846	18034.14374	15752.48847	12805.85339	15295.72294	10631.4568	12789.65516	8506.074817	8673.697622	7556.987146	7833.577939	8841.04804	0	11896.18533	9547.67626	31003.13204	23952.14371	23807.62053	24651.28713	11757.70217	13286.56156	14222.02278	12715.5483
GABA_M+2	0	0	0	0	0	0	0	0	0	0	3352.211558	0	2641.979773	0	4524.517248	2349.164161	3193.019503	0	2589.606678	2204.844662	3175.529	1912.668538	0	0	0	0	1941.091626	1706.970758	0	1865.414638	0	0	0	0	0	0	0	0	5597.746619	4626.061586	4806.002103	5298.715792	2073.603072	2057.665199	2063.567634	0
GABA_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2307.066293	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
GABA_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5-Amino-4-oxovaleric acid_M+0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2714.056963	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2124.809804	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5-Amino-4-oxovaleric acid_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1768.469717	0	0	0	0	0	0	0	0
5-Amino-4-oxovaleric acid_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5-Amino-4-oxovaleric acid_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5-Amino-4-oxovaleric acid_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5-Amino-4-oxovaleric acid_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5-Aminovaleric acid_M+0	0	0	0	5656.58016	6033.064653	0	6467.053868	4750.216897	2792.914759	3466.228069	3920.257788	5402.19391	10433.21064	22008.94953	30075.64268	15426.9717	2727.709575	5139.358875	8948.558979	0	0	0	16912.19714	12984.45161	0	13432.34373	0	0	18029.61605	15017.14403	10636.25847	0	11604.19221	0	0	13951.84976	20136.0023	26779.06866	34078.08735	23553.4671	0	27864.1869	0	15020.68031	0	0
5-Aminovaleric acid_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3168.472493	0	0	0	0	0	2956.41273	0	0	0	3659.35999	0	1888.820143	0	0	0	0
5-Aminovaleric acid_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5-Aminovaleric acid_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5-Aminovaleric acid_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5-Aminovaleric acid_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Guanidoacetic acid_M+0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11482.18348	7342.966496	8530.363024	10300.07307	6688.343198	7870.738335	7933.183015	8490.996317	6098.526998	6411.753964	5837.034336	5164.196356	6345.730822	5715.485557	5289.059537	4649.231164	16622.6613	10330.8092	15457.50878	13521.49126	3883.96605	3741.383599	3558.380578	3828.506735
Guanidoacetic acid_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Guanidoacetic acid_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3054.971067	0	0	0	0
Guanidoacetic acid_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
4-Guanidinobutyric acid_M+0	13338.59157	12018.96743	12247.63928	9017.005011	4056.319643	3671.306944	5172.061855	4045.980385	3787.14401	5378.995612	9643.156906	8855.914131	7806.161724	11092.57427	18240.49815	10226.01571	11116.87684	12912.8757	7958.240212	7872.669495	8325.756201	5944.597061	25765.24919	23282.74933	25118.48817	22345.7385	16548.46094	18528.36069	16268.28184	18323.48775	11585.97871	12122.32869	11308.92135	9945.171839	11620.91316	15139.75118	16350.91075	13523.10489	38914.7352	27514.20017	31086.86555	25791.68536	6371.914761	9041.905469	8771.301939	9836.071583
4-Guanidinobutyric acid_M+1	3030.384833	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5848.999089	0	2682.67525	2644.124407	0	0	4142.603195	0	0	0	0	0	0	0	0	0	3377.191122	0	3518.362283	0	0	0	0	0
4-Guanidinobutyric acid_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4865.736972	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
4-Guanidinobutyric acid_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1333.793379
4-Guanidinobutyric acid_M+4	0	0	0	0	1579.95432	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3213.181688	0	2791.737727	0	2007.861291	0	0	1545.699384	0	0	0	0	0	2600.458717	0	0	0	0	1905.317934	2570.990237	0	0	0	0
4-Guanidinobutyric acid_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Gly_M+0	1108485.673	983542.0309	985335.0987	936497.3407	909463.7134	706581.1996	999553.6962	929027.526	1018085.491	1097577.381	1255078.265	1307751.448	1133690.825	1583150.284	2186884.386	1189244.723	1262299.55	1540372.048	1103024.656	1120163.031	1165381.727	840301.9003	1175823.653	854966.6623	875740.1695	929107.9667	796742.7105	770888.4928	727600.3482	872165.8123	797846.3791	946488.8845	896865.5704	823572.1425	1105030.889	1198278.448	1117987.299	826296.1585	1775714.425	1293418.76	1428914.284	1380874.307	423392.1029	615300.403	700366.1797	2275354.74
Gly_M+1	29881.4241	22634.01133	25232.83531	21775.51091	24978.70303	18003.42602	23791.06697	25425.6262	26703.79446	26737.86333	32631.06264	31267.81449	27833.57145	38862.68317	52281.00199	30039.63453	30688.36886	37268.76094	27046.90443	28875.74559	27068.27448	20605.6863	29553.47573	20941.5273	22786.93453	22893.18398	21436.7099	20117.74862	20477.02564	22158.8628	19457.26798	25145.5554	21482.72884	20375.13787	27348.08413	31156.21067	24048.13705	22682.72505	48886.86046	34004.17959	35392.90957	36035.07692	12150.12074	17941.24004	19160.22215	53358.42951
Gly_M+2	4144.05915	4676.974191	3938.357056	5067.34014	4039.275158	2941.952192	4389.68878	6811.740764	6705.446774	7929.226235	14933.27284	16090.19065	14316.07471	18108.26208	41621.17254	15815.42647	15887.04887	24682.27753	35417.29722	31158.9852	35548.49923	24189.7913	4882.047165	4184.487695	4410.180112	3861.080093	6884.846985	6140.887068	5351.944647	6513.164246	22709.18866	21534.827	19271.49496	17278.10485	29840.98016	34895.97576	44113.30107	34718.35013	187164.3949	105709.7067	127828.5447	115216.1291	28453.06569	31301.67851	31638.36876	37229.84676
Gly-Gly_M+0	12168.83012	11840.37479	13803.61842	13169.97971	12245.18524	8095.875304	9992.910748	12158.0773	0	10869.21097	0	18129.20316	11718.08386	19237.15818	24317.41833	15015.8217	18296.86788	18259.0071	0	8115.757059	7856.570989	5091.655548	0	0	6244.953663	7886.466805	8091.017397	6753.209103	6375.079604	0	10458.18188	9288.872405	7113.231121	11581.02434	8116.415025	8716.074696	11650.6312	8008.659095	16741.91335	14875.96838	15222.90989	0	0	5695.017522	0	0
Gly-Gly_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Gly-Gly_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Gly-Gly_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Gly-Gly_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N-Acetylputrescine_M+0	15956.54803	15022.49792	17052.41663	12042.95484	7331.484868	7270.233772	8805.964927	30515.98583	39262.48421	40960.39197	19043.35537	20919.57522	16512.17921	22906.34986	9346.05228	13181.81664	11808.09572	10371.65698	8653.624829	14152.36902	9134.161839	8137.935011	5182.804259	5121.613543	6515.315585	5558.459583	8165.781428	9664.65896	6797.92559	6835.670423	39629.47001	40566.7274	36265.8415	43480.50597	50812.37293	45400.80951	38604.66889	31930.62348	2652.489494	3814.803976	2232.723885	3509.878161	13238.09946	13603.45899	13401.00978	14090.04542
N-Acetylputrescine_M+1	0	0	0	0	0	0	0	4005.798941	3822.137761	4139.619448	3126.602962	2146.103151	1866.46819	0	0	0	1769.890988	0	0	0	0	0	0	0	0	0	0	0	0	0	3783.327333	4588.532914	3004.472149	0	5411.682568	5170.825367	5016.511837	5526.520455	0	0	0	0	2211.950888	0	2211.372118	2837.537556
N-Acetylputrescine_M+2	0	0	0	0	0	0	2391.692453	19125.41669	20558.63733	20103.86462	26068.49549	25522.16583	23354.34822	32972.0572	17831.36726	20042.42523	18293.93054	16184.13838	12822.38922	13499.21819	15414.23872	11633.78362	0	0	0	0	0	0	0	0	20661.5902	17134.2844	17256.94404	0	39300.02284	38570.1649	36898.80594	31398.74465	0	8590.986351	5092.234236	6901.808981	14926.16956	16826.13814	16979.0009	16646.92644
N-Acetylputrescine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	1932.65669	2237.132534	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2543.393815	0	2373.974517	2352.847952	0	0	0	0	0	0	0	0
N-Acetylputrescine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N-Acetylputrescine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
N-Acetylputrescine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Carnitine_M+0	16951.19086	15485.29871	17392.83264	15726.35396	14817.58971	12217.94543	17670.92164	10619.08647	9012.660806	10592.38258	12412.77792	12973.56016	12429.95711	14169.82138	23804.99107	16189.36087	17092.88793	20062.15973	7259.439437	9289.301732	8290.015935	7742.371218	28394.41175	20472.10559	24411.47215	24606.46662	20002.54981	21836.33752	21946.88063	21179.73058	19096.43302	20926.23815	19549.73812	19598.46956	12185.51242	15313.26511	18057.59642	17608.46125	23134.49991	17182.36468	19593.62025	16565.62188	12137.71864	11400.77225	11634.99777	12149.76357
Carnitine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1866.727415	1930.626491	0	0	0	0	0	0	0	0	0	0	0	0	0	1983.934127	0	1541.268602	1730.407078	0	0	0	0
Carnitine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Carnitine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Carnitine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Carnitine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Carnitine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Carnitine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxine_M+0	3919.782394	4577.493669	3406.613578	3368.513596	3948.003928	4379.335452	4287.041711	3707.591293	3769.5255	4616.727673	4576.345616	4452.765002	4544.666196	5639.604945	8381.703818	5284.785939	5252.713656	5586.280887	3222.857224	3789.299601	3302.653177	3140.673335	5092.884241	3381.456297	4399.887832	3205.872974	4208.027445	3895.47564	3663.250679	3317.432222	4983.971127	5639.756305	4000.727025	4632.495752	4390.121063	4519.243713	5412.209353	4014.59597	4874.893316	4642.619252	5083.056456	4360.219815	2652.859312	3205.649733	2911.633011	3780.074426
Pyridoxine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+0	3374.365526	3750.291762	3493.146634	3600.398251	2154.191234	1660.282159	3451.28146	2254.166111	2789.575614	0	0	0	0	0	0	0	0	0	0	0	0	0	13073.84161	6674.585147	7128.273082	10577.89706	0	8615.059078	8128.05993	6339.768837	0	0	0	0	0	4010.490118	5217.967975	3720.573191	0	2408.33018	0	0	0	0	0	0
S-Adenosylhomocysteine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2180.768772	0	0	1850.874326	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+5	0	0	0	0	0	0	0	0	0	0	1472.633096	0	2432.816578	0	3638.353065	1997.339778	0	2656.253498	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5404.850412	5407.241671	6875.022693	5077.957874	6203.354876	9307.615679	4523.054711	3750.395634	4098.859881	9052.889223	8620.084447	7709.754511
S-Adenosylhomocysteine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2413.35974	3730.119276	1283.463964	1854.397298	0	3491.297778	2672.267736	2729.214735
S-Adenosylhomocysteine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
S-Adenosylhomocysteine_M+14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
β-Leucine_M+0	0	0	0	0	0	0	0	0	0	0	0	0	6126.438378	0	0	0	0	0	0	0	0	7082.841293	12830.52099	0	10711.2872	0	0	7180.382126	11404.23865	10857.88481	13187.89876	0	0	8753.945327	9899.813558	0	0	0	0	17530.65123	0	0	0	8065.426806	0	0
β-Leucine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
β-Leucine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
β-Leucine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
β-Leucine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
β-Leucine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
β-Leucine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxal_M+0	1876.166024	0	2576.535632	2800.757253	2969.317431	2111.78665	2537.393922	0	2457.222809	2460.760317	0	2003.782989	2966.193558	0	4568.328148	3229.73219	3347.038058	3166.839119	3073.622662	2559.419743	2533.4737	0	1699.184942	0	2368.896675	1987.132658	1634.316793	0	0	0	0	0	1644.138676	0	0	0	1960.296858	0	2851.781096	2685.944773	2902.377017	2322.801054	0	0	3425.42693	2218.450313
Pyridoxal_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxal_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1361.905899	0	0	0	0
Pyridoxal_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxal_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxal_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxal_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxal_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxal_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Creatine_M+0	56720.73434	32271.86662	51934.47703	48431.05689	22200.1498	12226.71576	19229.24736	25545.87971	13919.30244	12763.86026	42104.90821	34651.85462	19233.36741	26560.20089	66584.32072	33951.69972	38081.11454	34700.45539	77956.21015	70330.75616	77232.35496	61379.85583	92434.16671	69527.11376	74868.55811	71677.82909	87020.43465	72418.55314	70272.30928	74600.65793	88117.3574	95769.6626	84310.40492	77549.92493	28330.80927	48721.57356	62604.69152	50632.51626	168202.4237	109859.9972	154125.5911	128256.5165	36430.35659	44301.67588	41592.01657	46863.34158
Creatine_M+1	5328.580957	0	0	0	0	0	0	0	3082.032348	0	3965.796423	3032.656621	0	2875.189131	3942.308325	4427.025649	2662.996476	0	4696.125107	5189.000839	6262.232865	4672.745248	6667.531843	5031.729511	5233.752648	4501.232124	6004.552936	6114.523399	6391.898491	4613.547007	7532.357099	7633.445085	8628.597213	5115.11785	2603.632547	3579.555353	0	3382.308095	9897.498741	6407.454582	9835.433774	6810.335537	0	4142.034816	0	5049.416973
Creatine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9953.146878	6139.406099	8538.390988	5902.844833	3167.061175	2950.11585	0	3700.658348
Creatine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Creatine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ala_M+0	564530.6923	467132.165	478723.9357	470957.5668	116689.7048	97984.89178	134691.9708	129432.6606	164939.8885	164973.3704	232464.9459	227570.0853	216231.3159	298188.633	686245.1696	362789.2812	400104.2801	552104.5601	42113.91763	44508.15522	45934.29021	35355.29296	510106.9735	355437.0241	382715.1905	418623.0024	168365.1467	191921.7476	167765.2226	176700.8438	219812.2544	228260.372	202680.225	219362.7457	285445.41	287894.2911	308999.994	225228.9206	727200.1671	449167.3346	609852.8373	506675.6958	57248.39362	73944.39455	77289.10087	74571.50725
Ala_M+1	28157.18997	28556.96835	24835.83825	20409.25542	18617.24195	16382.36625	15358.12675	17846.50037	12639.32475	14440.44702	23480.98935	24571.65151	18931.14587	28342.52678	60130.09246	34184.62925	36343.92382	47211.07859	0	0	0	0	25708.49205	24939.18937	25106.40817	23278.30042	16804.97946	13775.27488	14104.00783	10384.82515	19315.27221	17736.30775	18850.22832	17247.58996	21955.54946	27783.14457	24545.65013	0	67248.79302	46193.54136	64714.67036	47337.66881	17291.76542	18110.56326	17803.09976	10537.51612
Ala_M+2	2460.444828	2714.590357	3269.343241	3306.043872	3535.002075	1999.576343	3552.074197	9895.195687	10135.95804	11477.93302	28262.42368	27264.15863	22973.30112	36065.75662	109540.7306	51549.18513	55839.70858	77663.98841	17522.06053	16797.40512	19964.55363	12324.81812	3097.507307	1898.600918	2387.261527	2770.803445	3994.738732	0	3100.999564	3501.500528	9969.664413	11173.93076	8971.695104	8662.610531	15564.90113	17742.74894	16957.27895	13484.28322	75694.16603	43525.08728	59153.82045	46482.39398	9955.167969	10191.71857	11390.37823	11128.95065
Ala_M+3	0	0	0	0	75052.71697	64441.7583	89835.64095	319561.3597	341829.1247	398597.9834	1010793.714	952089.3432	845422.2701	1409681.711	4255629.825	1959425.206	2110150.292	3062976.976	638219.4508	569529.812	657795.6819	441192.3264	0	0	0	0	71648.45144	74069.00162	67556.61138	82888.84447	251157.0844	274950.435	229905.3241	248860.3168	425381.0878	387110.7942	431448.554	336256.7424	1766478.143	982445.1317	1350909.532	1165475.909	210601.9253	243700.4936	239077.8483	231214.4449
O-Acetylcarnitine_M+0	5257.59382	4627.302586	3884.897596	4339.625575	2256.421375	0	2503.968999	1794.076562	0	1840.181172	0	2195.477509	2259.134618	3259.73985	9152.739556	4184.259692	5200.073699	5191.479235	0	0	0	0	8287.964012	6413.927945	6677.714594	8433.346766	5904.627177	5809.649094	4629.535044	4534.133484	5568.830665	7154.225422	5003.449321	4882.453839	5783.232673	5202.635284	6733.623079	4883.115237	8363.236913	7628.05073	7714.737105	7190.928523	2971.321517	2492.796677	3375.21606	2693.422834
O-Acetylcarnitine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2712.674217	0	0	0	1973.806411	0	2470.151408	0	0	0	0	0
O-Acetylcarnitine_M+2	0	0	0	0	0	0	0	2634.188229	0	0	6341.291566	5477.810415	5143.524585	9185.894168	19689.26494	9168.897811	10747.65128	14516.47851	3749.103928	3101.137536	2826.017297	2973.975045	0	0	0	0	0	0	0	0	3366.397611	3796.465977	3399.190987	0	0	4740.105713	5471.561712	5847.119142	13347.06114	10256.81054	10247.73829	9462.78319	4292.464957	4638.958044	4174.71456	3596.574576
O-Acetylcarnitine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1776.56568	2739.830637	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
O-Acetylcarnitine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
O-Acetylcarnitine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
O-Acetylcarnitine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
O-Acetylcarnitine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
O-Acetylcarnitine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
O-Acetylcarnitine_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Cys-Gly_M+0	0	0	0	0	2513.148712	0	5029.232811	0	0	0	0	0	8783.209344	0	0	0	0	0	0	0	4954.025939	0	0	2655.817176	0	0	6084.15683	0	0	0	14118.28034	12202.33673	11705.29137	13183.91019	5447.222983	0	0	5230.843237	0	5265.394181	0	0	7180.468377	0	0	1873.36373
Cys-Gly_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Cys-Gly_M+2	0	10006.47401	4851.244432	5828.279707	0	0	6032.429683	11913.69991	0	11140.48835	19452.05295	5147.952911	9808.700788	0	0	8889.421258	0	4842.505796	0	0	0	15437.921	14092.61287	0	0	16889.14078	1956.889739	0	0	2906.449012	10926.18923	0	11826.79409	4280.41528	0	0	0	9076.715911	0	0	0	9199.898624	0	0	0	0
Cys-Gly_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Cys-Gly_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Cys-Gly_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Argininosuccinic acid_M+0	43074.95743	37086.50942	33960.04443	35312.52689	40052.25698	35969.65369	47440.24256	36702.22795	39734.55811	37886.32906	39814.45958	35419.50424	28099.57587	44623.44486	59360.50097	36628.02658	41354.82134	49574.86075	10321.09138	11425.07212	11140.21105	8379.414101	33420.88591	22729.16492	23860.31806	26060.64644	24739.30878	27272.0365	28973.60585	28754.23154	29876.13826	27817.1512	25489.06649	26337.48855	38137.19997	35212.37619	36204.37643	25423.17624	37665.39532	28765.59632	34638.54328	32999.3547	9341.310247	11148.3859	10874.3719	10318.19385
Argininosuccinic acid_M+1	6320.627987	4631.702176	4366.561618	4597.483389	5513.914913	5361.150378	6011.400935	3826.507141	4711.079031	4612.178084	5760.948967	5452.704745	5006.689719	7256.330159	9923.009835	5963.841258	6227.039225	7079.459534	0	1835.027948	1687.132228	1887.74457	3795.644652	3198.127709	2406.768187	2405.416762	4017.864669	3509.875058	2493.284984	3577.540817	3846.3348	4097.151639	3005.138535	2965.10903	4906.453295	4979.864356	5318.151828	3017.417775	7848.033513	4529.983964	4901.79936	4637.512393	1903.663401	0	0	0
Argininosuccinic acid_M+2	0	0	0	0	0	0	0	2734.884233	0	0	7767.831666	7199.060878	6303.031541	8357.560119	17458.47981	8936.92057	8599.222867	11035.69405	5024.183727	3630.692359	3724.490312	3638.218877	0	0	0	0	0	0	0	0	0	0	0	0	2874.107794	2896.289913	3521.073931	2706.832213	9435.353023	6125.40567	6661.641478	6773.181586	0	2005.790398	2748.239256	0
Argininosuccinic acid_M+3	0	0	0	0	0	0	0	0	0	0	2613.810278	2748.352573	1908.995773	3097.136897	7294.497865	2599.526928	2570.64987	3173.642462	1922.129109	2423.992711	1932.89745	1982.153089	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3200.689068	1682.568389	2805.786296	1903.244659	0	0	0	0
Argininosuccinic acid_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1496.247578	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Argininosuccinic acid_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Argininosuccinic acid_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Argininosuccinic acid_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Argininosuccinic acid_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Argininosuccinic acid_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Argininosuccinic acid_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenosine_M+0	2737.141796	2559.419924	1706.163561	0	0	0	0	3402.153862	0	0	1795.20976	2722.799524	0	0	2155.035593	0	0	0	0	0	0	0	2811.023957	0	0	3482.15213	0	4666.749372	1740.551297	2564.820904	2185.220775	3006.266533	2819.339314	4298.210844	0	0	0	0	0	0	1646.190872	0	0	0	0	0
Adenosine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenosine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenosine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenosine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenosine_M+5	0	0	0	0	0	0	0	0	0	0	0	2792.171287	0	2368.763995	5876.497226	2969.260853	3003.451416	3388.395364	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1763.833371	0	0	1727.669316	2278.285742	5184.143378	0	3661.294516	2350.211767	2164.408432	0	2942.517191	0
Adenosine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1486.195223	0	0	0	0	0	0	0
Adenosine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenosine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenosine_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenosine_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Kynurenine_M+0	5872.005764	5440.57666	4711.37788	4678.948529	4303.471724	3791.039433	4436.302398	4141.182638	4570.931694	5606.999421	5631.495701	5471.544827	4736.22527	6648.560422	10582.07949	5706.549381	6544.458226	7769.132352	3649.264553	2972.10037	3243.349856	2971.404482	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2479.751394	4174.169063	0	0	0	0
Kynurenine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Kynurenine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Kynurenine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Kynurenine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Kynurenine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Kynurenine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Kynurenine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Kynurenine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Kynurenine_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Kynurenine_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Cystathionine_M+0	6437.544986	3521.740213	6303.693709	6295.678925	5385.205803	6114.481569	10553.62537	1762.516246	3510.693169	2813.538873	2970.690142	4098.1934	0	1840.942233	10664.52154	5967.546	4871.807119	5760.877593	2858.244142	2355.241458	3876.785186	1454.298988	261749.2447	190367.6504	208991.1252	232711.5404	183627.6489	182592.961	186834.2428	207135.827	158352.6733	166386.895	139489.9287	158509.4215	174794.2089	169830.7907	188721.3853	123442.082	415703.5581	266274.1849	331615.025	305674.8486	38235.94929	48245.0295	50897.29213	43407.20053
Cystathionine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24190.69038	18700.5023	19473.65053	21530.24631	17400.95917	16644.78511	17560.01432	18906.56627	15515.9464	15132.44309	14424.6915	15252.31949	18181.07965	17656.26016	20207.8725	14015.85562	55237.61162	36624.61722	43830.65886	40762.63327	5991.614143	6072.760506	6580.64177	5327.018846
Cystathionine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3695.638693	2201.159994	0	2205.32071	0	0	0	0
Cystathionine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4557.042041	4294.099817	4350.824704	3609.362247	8571.248029	9521.525868	10322.25204	7197.060401	52184.57944	28162.31932	36179.70402	30634.3916	0	3497.984196	3913.244398	3303.152683
Cystathionine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2601.416888	2087.762576	12524.11194	7363.582378	10987.42137	8872.247258	0	2863.366738	2784.06815	2214.698445
Cystathionine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Cystathionine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Cystathionine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ser_M+0	2200391.891	1906612.514	1896513.51	1924972.6	2327343.057	2118553.518	2791116.938	1978354.57	2162812.493	2172364.051	2225903.315	2061294.846	1670988.303	2497095.42	2464335.58	2044661.075	2129369.787	2371983.534	666214.8613	710568.9781	692468.6284	566923.737	1772420.179	1160232.171	1188908.663	1451864.086	1446124.422	1270504.118	1391489.122	1469816.148	1339354.676	1492098.143	1255858.714	1421506.526	1748047.866	1395942.908	1325863.735	936007.2399	1420677.377	924658.7684	1341145.009	1242296.017	310574.2399	379239.4883	360212.612	358600.6685
Ser_M+1	76678.26083	66278.74361	67672.20102	69813.22794	77694.75366	75136.43497	95626.90586	72849.59801	73776.11189	76447.04431	83065.65893	79258.78763	63111.43348	90569.76943	105006.9822	76351.28315	83229.70246	95471.05453	36589.18384	34456.09486	37121.76236	27259.40039	59333.20172	41998.25768	42781.42746	53643.11794	53340.10364	45837.18902	49240.8351	52528.31887	57108.10032	60872.98535	53480.1989	61138.50124	79441.80337	67848.31627	66974.64942	51633.76454	151482.4257	97221.83452	127068.8775	112412.0075	25649.08923	29797.3593	29965.80002	31340.4059
Ser_M+2	14483.34435	12165.97949	12113.59992	13138.26258	14948.47202	13788.16432	17415.89596	14281.43519	15219.48276	15089.34905	17191.14286	16308.84784	13041.5896	18801.14891	24814.56258	16700.68864	17820.14389	20973.88305	10592.28953	10297.34475	11137.70606	7713.451937	11495.12889	8186.674074	7830.33902	8759.172038	9306.070271	10273.43128	9968.594743	10437.29751	15201.02874	15501.93705	13875.01803	14245.84454	19965.58705	18929.43495	19718.92018	14805.136	65388.06912	35535.58623	51136.78077	41671.81953	9676.259852	11792.06684	12610.74205	12385.86361
Ser_M+3	0	0	0	2619.782948	7083.474113	5383.192982	5689.939607	20727.68012	15536.93042	20564.29016	44718.35565	42064.15444	33458.04008	50869.40137	81639.45764	51823.83049	50733.60235	67335.55022	26123.7713	28352.03818	30500.909	19217.80585	0	0	0	0	28900.1973	27188.46659	25017.83453	29689.84114	84142.20497	83264.55239	69645.31231	71170.72219	122546.4003	107372.6788	119232.8126	87092.48941	234625.8099	141845.2042	191390.2769	181881.9689	32313.07794	38646.49336	38066.21679	35551.557
Val_M+0	1832537.474	1663793.093	1623924.791	1609300.811	1948279.368	1807495.97	2341640.179	1610015.414	1705839.553	1723507.838	1874469.187	1836509.145	1514806.732	2207677.091	2650559.486	1712433.673	1862124.909	2111096.472	666650.2719	726392.4434	700991.9565	553991.1042	696494.6317	473728.2697	475476.9396	581953.2295	552612.4939	493377.1328	528503.3305	571415.1308	572836.0602	622885.7517	536104.2787	582414.3423	626577.6719	575184.6119	529391.6515	451794.1875	861386.9733	580003.3145	725531.2021	689205.9779	236036.7697	279324.0297	249097.5699	250269.7649
Val_M+1	99624.12854	92292.58787	90328.01555	91172.11313	110368.3219	99909.35855	130106.9433	88674.07621	95122.60505	95275.3041	104912.6591	98577.21148	84379.29883	115873.7939	144736.1488	94399.0688	103728.4151	119359.7404	42682.39589	42263.24672	41818.70573	34869.25762	42026.36863	29631.4245	28884.8874	35105.90589	31560.29117	31601.93359	34922.60341	35401.42496	35277.25027	38644.2387	31865.9133	35051.71717	37528.90582	34796.3844	31710.78416	24828.53769	47887.59052	33692.56164	45242.1208	40607.71847	16634.73701	17288.49917	16981.55277	14355.36578
Val_M+2	10087.2381	9756.774592	8984.03177	9591.608732	11659.30427	9742.490615	12442.64314	10753.80871	10715.27395	9221.70956	10672.88234	10222.74441	8578.277511	13067.20399	13827.02838	0	11652.17599	12941.58187	4264.034935	4450.855493	3205.451444	3127.124421	4223.984513	2905.195335	3363.281822	3515.017179	4013.133648	3566.04473	2638.75466	3104.865842	3972.612731	4490.084738	4450.928848	3425.911036	4007.140235	3470.579682	3406.148525	4296.116949	4821.355902	3943.985007	4874.098891	0	0	0	1745.273898	0
Val_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Val_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1085.48705	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Val_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5'-Deoxy-5'-methylthioadenosine_M+0	5295.200484	4748.875048	4936.659389	5070.616286	3248.807394	3422.193573	5983.905986	2761.925368	3109.021041	3184.720664	1887.399865	1979.373708	0	1908.170541	0	0	0	0	0	0	0	0	0	4964.774343	3129.111726	6403.56571	2134.610664	5237.8517	5488.561246	5442.354593	2869.21313	4612.465417	3222.156313	2110.931147	2813.343747	2639.663105	2474.266707	1738.868962	0	0	0	0	0	0	0	0
5'-Deoxy-5'-methylthioadenosine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5'-Deoxy-5'-methylthioadenosine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5'-Deoxy-5'-methylthioadenosine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5'-Deoxy-5'-methylthioadenosine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5'-Deoxy-5'-methylthioadenosine_M+5	0	0	0	0	0	0	0	0	0	0	3548.132177	2995.107562	2935.467899	2786.401662	3124.95516	1949.315077	3793.094817	2009.89554	2259.464717	1998.780075	2112.893717	0	0	0	0	0	0	0	0	0	0	0	0	0	2329.753854	4247.070726	3464.988087	3407.484456	3465.816105	4550.900021	3494.898827	2296.779596	2650.190035	4679.669378	4818.046519	4998.239687
5'-Deoxy-5'-methylthioadenosine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1671.859862	1627.125601	0
5'-Deoxy-5'-methylthioadenosine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5'-Deoxy-5'-methylthioadenosine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5'-Deoxy-5'-methylthioadenosine_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5'-Deoxy-5'-methylthioadenosine_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
5'-Deoxy-5'-methylthioadenosine_M+11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ile_M+0	6018484.563	5372790.479	5150259.125	5327048.101	6166301.469	5442014.547	6965127.203	5053414.285	5443711.253	5363565.906	6294971.628	6002100.279	4877181.74	7040900.85	8692030.738	6266540.379	6577087.459	7398841.519	2292357.984	2244343.853	2317400.876	1783801.049	2505360.297	1687588.236	1764199.885	2032751.804	1955669.512	1717679.094	1904925.468	1961852.306	2081587.462	2197534.615	1851404.085	2136836.396	2297508.683	2029464.533	1960947.465	1489448.787	3574109.769	2287637.305	3222392.679	2761786.635	781781.1929	917381.8708	861764.1095	852592.9518
Ile_M+1	365456.066	323778.8649	321304.1112	331308.675	380163.9571	342747.9481	461078.7217	314402.5806	343308.6702	338981.1509	378055.7509	381142.6434	305949.3892	447696.2103	604618.2642	399881.527	419442.5372	490927.0487	139283.935	143784.0984	147466.9127	120316.6046	152027.7825	112143.7224	115819.1562	132148.2337	127876.6291	115597.7048	125162.9205	128798.9876	135962.1189	142872.4548	121804.4075	137095.5504	144310.3644	128761.7302	124853.8794	98192.53577	226046.4612	147106.5026	209355.691	177279.3902	54112.68465	64491.63766	59733.10899	57291.06954
Ile_M+2	31569.33025	30396.95065	29911.77086	29626.53338	33451.74437	30516.51576	39778.51533	26532.10721	32745.86014	31245.96609	33444.92044	34222.9207	25627.25958	40317.60524	53364.25101	34859.1685	38017.81573	43990.51905	14377.47859	13310.37381	12570.11981	10867.80137	13935.28757	9970.186701	10875.442	12931.02684	11422.509	10168.02941	10958.19638	13048.69759	12340.75636	14268.13104	11940.40718	12862.03386	13523.51461	12082.11086	9344.710162	9897.520964	20815.0895	15188.39226	18910.39346	17123.91335	5366.231685	6655.192635	5101.886951	6603.570707
Ile_M+3	2932.132631	3866.460739	2592.874695	1854.934835	2362.07354	1618.405619	3507.046832	0	0	2338.934391	0	2160.143825	0	2403.414636	2336.443574	2841.94148	0	2759.804473	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ile_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ile_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ile_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Leu_M+0	6696073.226	5953400.685	6115008.995	6074301.431	7066910.425	6824595.79	8220356.835	5906102.325	6435340.193	6293269.922	6706702.912	6664977.24	5489373.891	7666344.333	9310098.271	6642506.485	7190270.593	7884167.249	2457295.189	2626569.487	2644335.239	2019621.583	3024565.789	2032013.18	2147994.731	2468715.747	2424497.072	2140742.175	2257735.252	2465072.525	2387016.08	2611570.728	2252538.215	2408731.031	2620079.389	2318152.919	2199277.59	1835681.538	4290918.416	2717370.625	3495819.382	3085722.16	890895.9166	1074655.255	972470.3426	1015900.074
Leu_M+1	428474.6296	375217.9261	377427.0894	370594.2766	439428.4122	424634.7448	525096.4677	358396.2659	396292.8362	391138.5551	436049.4359	411506.3632	335208.7115	490626.2008	637127.0661	407201.1281	439653.1885	504371.9408	158743.0392	161785.5289	160594.4271	125730.802	186707.8924	128385.5015	139743.6915	154351.8757	154589.6992	134590.4137	142034.5849	150218.5434	144829.8154	165593.1264	142930.5462	145957.0888	164976.6437	148174.0132	142932.0663	115056.8348	259795.6415	176393.3569	218143.5181	190602.6804	60440.36897	71377.30322	64391.25175	67559.68344
Leu_M+2	38377.6366	34049.22975	31492.83063	34403.23948	39683.9089	37832.72317	46316.86379	34626.15648	35821.34649	34657.81368	38013.65245	37305.33257	30910.37895	43587.26792	57705.31512	38623.05214	40492.78344	47287.72422	14348.02355	16135.90499	15359.06138	12900.03202	16944.45826	12404.84861	13167.9701	13972.14174	14969.12631	12940.417	12798.30969	15525.60732	14298.77714	17059.20287	14705.07681	13428.88138	15582.1879	12508.12642	13581.42662	10199.80859	23146.61254	14440.09035	20249.43733	16585.55191	5290.347465	6332.072634	5150.480997	6386.926647
Leu_M+3	1977.152054	2485.442914	0	2450.600416	3329.542011	0	4097.660158	3101.259958	0	0	2905.885197	0	2289.029549	2225.268819	2654.657009	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Leu_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Leu_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Leu_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Asn_M+0	3607095.422	3103604.867	3140355.27	3154489.258	3422354.383	3137792.283	4032918.343	3190515.069	3306054.865	3414516.226	4078766.247	3821662.072	3198739.748	4624088.6	6313105.372	4176498.476	4422333.089	5148803.944	1558941.365	1572112.227	1645667.962	1237534.659	2886052.618	2088317.825	2215657.424	2533004.25	2447042.073	2204746.32	2444264.551	2565754.869	2589247.309	2674511.354	2309718.85	2560464.985	3255163.607	2681499.107	2729366.892	1909319.411	4518748.639	3053630.898	3934370.77	3496372.038	752195.5649	931687.1171	884818.8311	855944.1949
Asn_M+1	163931.7832	142272.8232	143300.7772	146209.6518	158893.8395	143532.9358	181389.9887	144036.9866	148812.3852	157481.588	186489.9375	171844.4879	145167.0654	208504.589	277750.118	188984.2159	198917.9433	228428.825	74654.70183	76101.41888	78782.21319	61698.7786	131758.3079	94829.86458	103120.0882	116294.0895	111325.99	103124.5781	111699.002	117146.1948	123622.2535	122710.5346	104199.257	120143.0741	143241.6869	122683.4338	122189.5574	87092.93169	199160.0746	135407.2674	177359.3031	160940.3169	38820.42024	44497.13908	45099.18926	42562.3603
Asn_M+2	20758.0131	23438.85387	24763.84401	20965.30948	24090.59638	24183.69508	27266.29595	20250.27935	25343.50852	26528.08029	28835.78	30079.98008	25100.65546	33683.54967	47437.64515	32481.55428	32245.57712	38743.70486	11531.6239	11097.73089	13089.83579	10500.67477	20407.83862	16334.73708	17195.45009	18921.48238	15939.15651	18736.7139	15604.65207	19773.57916	20419.34945	20385.38444	22240.98709	19511.56066	24604.39486	21438.01014	20583.24383	15132.51722	37872.43818	25175.39121	32718.82801	30190.1571	10914.44447	7272.644919	10864.42169	11469.19199
Asn_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	4661.697884	3214.672571	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2873.711811	2563.166072	0	0	3800.297989	0	5176.980111	2390.940678	0	0	0	0
Asn_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxamine 5'-phosphate_M+0	0	0	0	2045.383749	0	0	0	1876.323956	0	0	0	0	0	0	2404.000806	0	0	0	0	0	0	0	2930.951945	0	0	2715.269228	2970.356728	3028.912111	2427.8364	0	3356.502569	3664.658334	0	3597.743433	2093.638526	0	2922.545752	0	3219.819741	2605.464825	3241.844626	2235.825507	0	3538.345228	0	2174.049566
Pyridoxamine 5'-phosphate_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxamine 5'-phosphate_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4912.308363	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxamine 5'-phosphate_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxamine 5'-phosphate_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxamine 5'-phosphate_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxamine 5'-phosphate_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxamine 5'-phosphate_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyridoxamine 5'-phosphate_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thr_M+0	1347635.627	1181787.308	1175113.841	1180765.306	1340913.325	1262750.369	1639195.427	1166825.186	1268857.631	1283132.946	1506686.615	1391822.149	1192615.334	1731304.468	2357905.654	1492573.644	1602524.224	1926398.701	531389.1602	542668.0881	557576.7822	418336.9371	899382.3797	604317.6935	629339.9506	750448.6958	764616.2091	658896.2711	748411.1994	771918.1408	743069.7188	803889.7272	669822.3615	759721.0517	970843.9541	786393.386	761004.7372	561237.2778	1323824.044	763368.9904	1157220.283	1030942.752	218890.4705	267138.8128	250737.4133	248614.8815
Thr_M+1	64783.97721	58721.42534	55353.96167	57506.43766	63121.03054	60146.70701	78923.0328	57394.97252	60674.61612	60681.35126	72433.94856	66013.78663	56988.108	81031.44835	111230.0187	70294.10391	75517.63189	91079.8006	27865.92826	29011.72041	29029.48335	24338.62916	43323.1363	33911.4967	30857.7349	36560.69221	37048.92806	31517.01594	37662.71458	38554.15234	36774.04068	40833.68184	33794.25794	37814.90674	45325.33085	38995.83015	37141.72238	27651.04206	63444.39873	40712.29716	57335.39195	50208.96696	13693.28393	18001.62441	15395.5125	15214.55491
Thr_M+2	2515.751423	3211.9511	1516.213361	5059.597145	4146.654398	4306.93555	9702.333193	3868.970375	5071.925663	5648.719923	5364.479445	1205.926757	2016.729924	7936.140689	13926.59981	10715.43213	10717.25386	13465.29946	0	0	6331.140066	0	2065.75446	1928.219703	0	1772.98129	1719.338721	0	0	0	3899.566801	0	0	0	0	0	0	0	9639.388221	0	6789.693619	6958.987476	0	2334.429874	0	0
Thr_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Thr_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Gln_M+0	11173136.59	9853254.526	9723861.605	9970701.983	11765530	10869590.08	13221312.62	9542716.962	10020169.17	10227410.09	10883891	9961559.958	8682233.153	10833112.2	10128874.77	7345005.243	8026190.953	8343505.87	4138923.921	4311937.04	4240228.654	3381092.51	6402344.061	4353077.339	4475127.468	5118162.394	6319489.633	5717278.702	6237379.635	6513792.229	5124833.473	5745864.057	4733819.657	5442784.84	5462966.427	4204464.973	3978730.092	3054491.646	1273734.98	1445434.507	1667604.201	1723741.791	1054541.196	1345566.484	1120373.947	1180915.281
Gln_M+1	628642.1698	553269.841	550918.0871	560180.1533	681199.386	627079.1535	792163.4253	545409.5982	564157.974	572075.946	621157.603	561186.4959	483285.6043	640943.4875	581511.4702	402015.654	452154.9345	461601.1522	227366.6606	236975.1279	229190.9674	187005.7413	340023.2007	237277.4705	243747.2429	286138.6143	341089.4136	312348.0453	331057.6664	355692.7548	281080.0719	311113.294	248529.269	288312.8596	298352.5153	230477.5737	213878.4731	169892.8031	76049.82993	87251.31584	102067.1966	105063.0742	63940.90755	79394.49853	67237.66796	71405.6908
Gln_M+2	84534.29498	78149.54078	71268.36122	83161.26465	90770.80862	81164.23168	103710.6377	80267.9501	84019.93505	82747.57252	100806.5495	92742.39795	78090.57117	101116.9148	122662.7725	73304.33188	79265.22362	96233.55595	45556.25599	44682.24503	45732.60406	34368.46658	44448.4483	33278.0793	34547.64992	38884.06026	51109.73903	45038.00484	47835.58786	47874.34062	44583.3165	50668.59739	44529.79857	47100.23407	53027.71185	47746.79851	52668.72383	38410.97884	55886.96603	46418.98761	57597.29725	52120.88456	29575.25908	33454.36036	33246.22282	31920.08112
Gln_M+3	117437.155	102815.8144	94428.28402	117611.6577	134965.1268	99566.26664	165892.6232	86487.14731	92203.40748	102330.5167	137476.9582	104090.856	83935.21762	132265.9953	220206.4387	128169.3442	133228.6732	161996.3446	35562.58326	39674.21618	48535.87526	29040.14029	52029.70383	29671.29998	31266.8977	38338.18911	24076.99502	21603.57126	41441.78915	32641.711	39338.60396	37274.6342	35621.43989	32866.13911	63727.58474	44255.33765	44911.14845	5680.226247	58005.91912	49942.66415	70216.28904	59889.2687	13138.46095	17783.09009	21265.61828	16093.78078
Gln_M+4	4161.667075	3505.917635	3313.635821	3902.840539	5713.056133	4732.57612	7870.520117	4423.283464	7675.292449	7129.930463	8075.378754	6294.68214	5558.789412	2153.830787	23134.34488	10458.34886	10628.74845	15059.78791	8442.197688	6548.122227	7512.804578	4873.039129	1997.131642	0	2776.40001	0	1789.750541	0	0	2493.372822	2148.907676	3657.092423	3326.404836	3891.012252	5830.963722	2284.273038	2947.201442	2700.553338	10963.2413	7983.057347	8314.203343	8529.424487	4352.080124	5199.228824	5346.056786	3678.358451
Gln_M+5	0	1931.907174	1686.005565	0	0	1704.64734	1548.747072	0	1744.555463	0	3106.189497	0	2843.969582	1759.856667	1416.250236	1744.618958	0	4365.823793	5437.268273	0	4388.977365	0	0	0	0	0	0	0	0	0	0	0	0	1847.232657	0	0	0	0	3158.596417	3273.034587	2409.802046	1634.092252	0	0	0	0
Pro_M+0	2963111.184	2647804.817	2790845.293	2550412.065	2429841.284	2165147.39	2905073.021	2546455.486	2637880.277	2765911.765	3895601.923	3771906.497	3113464.903	4595774.898	7379165.77	4384852.104	4979912.258	5906661.506	2033294.601	2031753.489	2117628.03	1585796.992	2461597.545	1878823.103	2093089.28	2214098.721	1944655.463	1913432.58	1958368.808	1975314.016	2034808.861	2172066.709	1850135.64	1957700.099	2147645.706	2039106.037	2100399.673	1606216.634	4422316.592	2953746.331	3713938.019	3124531.854	871241.5647	1045082.168	957064.5599	950881.1297
Pro_M+1	163563.8125	143765.2718	155284.97	141321.5482	129605.9492	121989.2072	158222.9291	143115.2961	145958.5633	144591.0382	209174.5365	205539.4497	175425.56	246156.564	408775.506	237467.12	267609.6263	320282.1848	117809.491	121869.1859	127149.6465	93220.73413	135245.4094	101694.4475	116697.4986	122893.9783	111354.9483	98226.85116	108358.2767	109335.0339	110216.6275	118941.3528	104441.9618	108702.7685	117436.8328	115932.6459	118741.3549	90102.2069	245967.8751	168502.353	205471.7729	170449.3697	56176.40884	67778.80499	60014.99276	59238.49602
Pro_M+2	8881.199609	7125.494683	13258.91172	2933.16002	7596.879327	2220.938861	10108.56862	26223.8583	17787.85408	22496.26989	107783.4652	111984.2319	100927.187	123659.7946	286810.6006	118325.1543	133136.5845	167177.6084	126281.1373	123037.9018	130965.6898	97578.87943	5028.427906	4210.761918	5050.252646	8815.323373	2172.260964	6680.70808	6719.828002	1974.277263	19176.39665	18196.1477	13271.72289	13796.10406	18911.40739	26477.80067	31856.80034	24830.38674	129631.2755	93104.34172	95899.0405	73678.27728	41463.37641	44504.68479	46765.8314	42143.14042
Pro_M+3	2408.695489	0	0	0	0	3213.051939	0	4881.967991	5159.717535	0	16929.43308	17287.7167	17908.60614	19439.33541	46116.48913	17072.10025	17537.06297	23762.35874	37387.12763	31974.7121	34512.47765	26037.39154	0	0	0	0	0	0	0	0	0	2531.046242	0	0	0	4286.273011	5406.684154	3447.850259	22003.89119	18009.24883	14696.26723	11566.77728	7375.011894	7659.047819	8646.949437	7889.691135
Pro_M+4	0	0	0	0	0	0	0	0	0	0	14174.8809	15216.2097	13595.53998	15176.88663	41350.68329	15686.94954	15408.9762	19477.53182	35169.24271	31808.23246	38619.76755	27313.04088	5547.321201	0	18033.69131	20056.29769	0	0	17136.17635	18445.46747	0	0	16406.998	0	121820.9697	0	17014.05187	14880.95845	17384.9119	12015.3513	13752.10874	9231.483424	5313.532854	6440.380455	6325.679192	6505.622793
Pro_M+5	0	0	0	0	0	0	0	0	0	0	3710.765698	4671.67684	4950.94179	3417.534284	10641.04663	3679.953007	2824.8278	5087.992833	15414.81167	17341.56044	14957.19768	10499.08021	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4977.120235	3558.598454	4079.059853	2264.877176	3829.96544	2519.314537	0	0
Glu-Glu_M+0	2724.476702	2789.61108	2280.493687	2417.417544	0	0	3053.883517	2828.072249	2097.588876	2596.972598	3189.844666	2726.036738	1663.300842	2675.920128	3091.662811	2122.948255	3268.83264	3108.969238	0	0	0	0	7098.261083	5919.911024	4792.526965	5592.841295	5703.320033	0	5304.246596	4797.790389	6837.954334	7164.899203	5957.96604	7209.377587	6139.805891	5491.808796	7531.181425	4684.650892	7830.931294	6365.037065	6431.841679	6293.530991	3045.685023	3832.802478	0	3407.882573
Glu-Glu_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glu-Glu_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2287.733104	0	2246.771818	0	0	0	0	0
Glu-Glu_M+3	2909.2922	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3385.510699	0	0	0	0	8830.934553	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3505.340033	0	3149.375224	2586.749495	0	0	0	0
Glu-Glu_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1341.135763	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glu-Glu_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glu-Glu_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glu-Glu_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glu-Glu_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glu-Glu_M+9	4881.798875	0	4115.715593	4505.535015	4269.113721	4379.951452	3900.326129	5012.400636	4758.208167	4533.028927	3409.235824	4633.34083	4731.966699	3747.607306	3456.981166	4043.661717	2569.705948	3860.249257	0	0	1873.196997	2202.374231	4874.103382	3889.681214	4305.372511	3219.054342	5332.054588	4783.585321	5600.185704	6325.84109	5091.195877	4673.147136	4235.22796	3809.082332	3755.257622	3661.899449	3046.45447	1901.090756	0	0	0	0	0	0	0	0
Glu-Glu_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glu_M+0	11010205	10206625.62	9956838.363	9725556.538	8021541.505	7182287.92	9723773.302	9962290.762	10227419.5	10635079.96	10651720.92	10429041.66	8489071.842	12307329.61	12202021.86	10821488.36	11637425.6	11832921.01	3966273.646	4378726.591	4103698.227	3197334.285	13806655.5	11274826.05	12123149.41	11757149.44	12384351.69	12543732.28	11557187.7	12744896.22	14273765.6	14647985.32	12758890.87	13132855.94	13443987.81	13567554.72	13908964.28	11958630.44	13767165.65	12561680.28	13201630.98	12749040.21	8803141.311	9924387.966	9299213.917	9469384.583
Glu_M+1	628584.3925	557223.4886	568554.769	550019.7451	448065.8844	401904.7998	536026.6675	577677.9923	603001.2007	616272.9489	722169.2354	700359.3857	565719.1971	801997.5981	856228.0049	706830.79	746482.8635	801235.0946	335909.0512	364400.1019	349466.8138	269811.4963	809061.0321	631373.3756	696198.2765	677998.8838	717231.3557	732932.7909	668016.6866	728627.9923	873282.9304	915729.7243	784223.3469	804365.5343	846826.055	887388.0699	955921.2411	774461.9819	1109563.154	975710.8948	1039667.381	959484.067	609044.9292	701704.1268	659013.4952	670250.2497
Glu_M+2	90979.44445	86861.03316	82763.4194	87500.44077	116972.0132	106199.3418	153086.9599	717360.8408	551694.8946	612086.5324	2219092.38	2211639.618	1880248	2526610.019	3717431.901	2303240.392	2324542.236	2765524.12	1477660.156	1531983.937	1528323.134	1157609.639	117228.471	99160.51924	110396.4581	105489.1292	139368.448	138465.7915	126572.5758	139462.839	705467.019	734456.5561	624228.3831	587988.7674	999142.2673	1297326.062	1518844.286	1196378.195	3338692.217	2686208.092	2880970.567	2526193.166	1469587.959	1666713.825	1650254.402	1605099.451
Glu_M+3	3344.113796	3188.170505	4137.896569	7021.856285	8222.389097	5656.465172	10407.44098	65287.06229	45449.79376	49054.52243	325305.742	328492.2487	288104.5376	351168.2674	667590.6982	329311.769	321574.0992	406497.3222	404843.8741	399973.568	423832.5008	312405.1587	5277.493397	5265.873697	5015.235322	6933.908087	5871.633813	10037.9573	6538.653875	11770.48424	57504.99061	54698.76675	51676.12707	43287.31207	93545.47205	130493.8111	158152.5811	122328.1449	551068.3538	426803.6493	448643.3828	379674.4404	221279.3297	248712.4997	258715.1495	234887.1536
Glu_M+4	0	0	0	0	0	0	0	42054.66327	27909.42152	31524.48743	294971.6751	300798.1602	269106.8331	312661.0339	657026.4512	292198.3125	279899.0768	375942.5307	491118.1208	469299.3002	502815.9262	364762.4779	0	0	0	0	0	0	0	0	29375.91342	31425.04551	26814.18031	22189.20974	54992.88071	83138.10304	104592.2081	86101.76894	465744.1521	349067.5021	375604.6812	301642.461	185068.935	206010.3775	221731.8464	205524.301
Glu_M+5	0	0	0	0	0	0	0	8867.846871	6632.571531	7623.14103	62721.66579	62817.17564	60256.6571	63643.0673	145929.4965	58089.4595	59450.93011	81656.666	188368.0304	158440.8579	195190.297	136130.7948	0	0	0	0	0	0	0	0	7223.200594	8862.448765	6448.554435	5486.600731	12757.2346	17122.63404	21943.86409	17061.64097	103357.4944	78548.91751	82857.38352	64676.11556	45214.39619	49024.94182	54635.95363	50770.20881
2-Aminoadipic acid_M+0	5786.584447	6436.315428	4135.194963	0	5675.498537	0	0	0	0	3960.807143	6919.086795	5651.231498	4113.539501	4713.494424	10276.54575	7085.46193	7404.618409	10936.19739	0	0	0	0	9282.296071	8484.060021	7979.453255	7120.509652	19856.1484	13687.00318	11742.49004	8940.103036	21327.97226	14639.70548	15443.47336	10305.81764	8106.968998	14773.98129	10556.49173	8857.766048	17113.98697	10248.72863	12919.32234	0	6870.541683	6313.897443	5240.40104	4374.919962
2-Aminoadipic acid_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2-Aminoadipic acid_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3616.332409	0	0	0	0	0	0	0
2-Aminoadipic acid_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2-Aminoadipic acid_M+4	1224217.053	1307329.932	1166885.182	1287420.042	1437903.504	1370275.694	1670004.34	875486.7991	1209596.949	895605.6952	1227792.964	1282148.018	1146553.313	1787105.301	1904850.113	1477591.65	1023107.246	1618473.148	532350.2735	547313.6829	496423.1188	377593.7527	585353.6254	335184.0697	409060.9921	457097.5738	407302.4369	359353.7272	411661.6555	448950.2671	398187.6071	518659.1486	427936.5238	512122.3408	145070.9368	456641.9401	371513.7508	351630.9734	703120.1384	468582.8067	649126.8674	609877.8527	135242.3234	204728.7802	153474.8179	137417.8001
2-Aminoadipic acid_M+5	109792.7778	109592.1673	105979.4713	91118.68308	122380.1034	112820.6432	154128.2426	85345.13137	112377.286	100551.7339	128223.4856	137827.4968	110428.4863	166302.7955	212244.1815	133859.1247	120118.2365	139085.927	38514.16056	49783.29798	44821.23532	36048.00738	45337.15757	30779.5475	28808.7371	27732.52282	27883.72751	30313.19237	29338.93063	37710.75384	0	43912.51567	24121.31544	49886.81739	38610.70828	38801.00791	39106.60724	22852.55338	42050.42535	43343.71909	49887.55019	41016.66091	12090.63965	10356.99719	11927.4118	13750.54345
2-Aminoadipic acid_M+6	3137.885229	0	2598.48028	0	3165.095038	2243.008761	1637.970642	4100.123017	3866.584312	4972.712444	5432.246014	5752.195318	2486.995348	0	3831.664255	0	4349.212216	1671.773355	0	0	1977.324851	0	0	0	0	0	0	2535.976241	0	0	0	3083.697556	0	0	1612.879014	0	1715.720452	2127.23797	0	0	0	0	0	0	0	0
Trp_M+0	361526.1274	318742.3032	317278.9046	322998.9658	370666.7359	350510.7337	442220.0364	314317.8065	330971.6271	346526.84	398396.6614	381106.4397	307140.9699	441572.1432	562628.6595	360252.1185	389335.817	459171.1658	140381.9643	145725.2812	141891.2894	111059.2836	148396.5098	101216.0806	100908.4516	117463.1756	113737.7074	97876.82379	107897.8673	118092.6441	127622.3784	128683.709	117100.322	138277.4586	139728.5001	123303.7031	118451.1716	93045.10028	192630.3196	126153.9502	169744.8965	150604.7598	52092.58262	64598.39876	55529.05135	55163.26915
Trp_M+1	47796.31158	41367.2135	41028.40854	41435.29187	49177.44064	44710.03585	57424.47366	41438.85532	44314.33994	44922.3192	50479.98762	48946.87415	39759.96306	58754.45851	73239.49486	46720.57674	51018.86403	59894.11639	17607.37007	18535.69566	19529.0749	15191.4718	19788.95431	12962.01605	13150.66013	14984.10934	13865.10622	12512.63246	13106.45941	14742.85231	17630.94102	17058.11883	16373.46143	16742.72961	18714.50022	17032.67845	17052.60281	12343.72817	25234.44083	18428.3375	22687.2888	19716.25603	6886.835627	7579.51886	8503.635288	8360.28988
Trp_M+2	4010.691795	4117.142655	4076.015039	4086.068708	4870.549416	4843.027939	7357.641532	4789.380632	4299.135969	3763.237074	6894.218424	0	3696.7607	5302.60247	8967.260762	4609.796794	5210.405255	6658.10573	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Trp_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Trp_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Trp_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Trp_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Trp_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Trp_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Trp_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Trp_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Trp_M+11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Citrulline_M+0	4797.370523	4084.653679	4783.999775	4664.450627	4110.952856	4735.088495	4134.356845	3017.709503	4054.099648	3834.756741	4689.935931	5276.606387	14116.02721	4046.985629	7272.543499	3181.678919	4722.115096	4662.116528	0	0	0	0	13118.39599	4200.986878	0	2632.49008	4715.445876	3984.162526	0	4240.289079	2273.404838	4656.666211	4944.461986	3066.002705	4984.688549	13615.7479	4256.376615	3208.508403	4683.041819	5760.268386	5467.229404	3365.445436	2944.339914	2895.23397	7585.015245	4332.427522
Citrulline_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Citrulline_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Citrulline_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6637.110738	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Citrulline_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Citrulline_M+5	0	0	0	0	2370.492376	0	0	3858.828098	0	0	2448.32652	0	0	6651.073244	0	0	0	0	0	0	1538.003808	2335.323442	0	0	0	0	0	0	5386.241993	0	1871.200895	0	3069.991049	2304.973503	0	0	0	4206.631381	0	0	0	0	0	2705.570661	3662.412017	0
Citrulline_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1663.44461	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2243.475855	0
Phe_M+0	1483582.172	1320387.244	1304998.679	1295016.742	1502251.698	1380149.169	1829858.051	1251075.551	1356845.276	1336545.081	1586299.157	1515844.907	1191327.318	1804186.526	2416996.784	1505447.056	1644103.748	1901433.188	536929.5136	558673.8472	561115.3363	436457.36	593266.6786	409196.4323	425194.8589	501819.9402	472361.486	423775.6323	461778.1438	475590.243	492686.1326	527839.4993	438850.6334	516663.0694	548215.6668	478804.388	462240.5827	369327.0468	774319.1761	483919.248	663280.6682	615956.526	184460.1743	208759.5425	193679.6697	194873.7835
Phe_M+1	148210.8668	132317.6174	129331.4331	131682.9637	146950.6399	135284.8757	187365.5746	127796.5874	141033.3455	136880.2334	158098.1332	144691.0399	121009.5529	178914.2531	234566.0992	149380.6902	165941.6983	186492.6429	58424.90055	60843.66847	59613.17755	47068.48923	64861.02936	43967.26068	45038.65802	54013.29644	50178.06089	46016.16555	49142.55113	50857.18296	52647.8296	56738.47123	47688.86401	56771.85912	58570.86594	53404.98272	52422.93612	45313.96101	82986.568	50386.75669	72709.37589	65865.39654	22606.13923	23950.58726	24486.98034	23069.38486
Phe_M+2	14686.10629	12765.74149	11835.86743	10850.89044	13767.38199	13112.28187	15583.40063	12226.62687	13019.04917	11705.66821	15208.77053	12807.06736	10772.25155	16750.61591	22590.02723	13758.50018	14063.93442	16783.35629	4698.809842	5897.639142	4601.399508	3725.857061	4985.443238	3913.593417	4345.319911	4548.346251	4174.838607	4285.357196	3884.701597	4720.543708	4659.077052	5063.629402	4806.014054	3986.502638	4544.205097	5163.459641	4828.38641	3519.088921	8405.663624	4178.606565	5752.814548	5247.873335	0	0	0	0
Phe_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Phe_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Phe_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Phe_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Phe_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Phe_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Phe_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Betaine_M+0	0	15221.89815	0	0	0	0	0	20903.57492	20365.64	22877.02375	17913.19519	30478.68557	26855.58729	0	98200.2276	65100.92623	49005.41231	66719.27344	35566.74797	38371.11739	30606.89368	0	39183.05229	26437.29741	32954.6461	28003.11279	18173.28185	24819.45354	23911.20308	25691.03735	33251.83345	42903.32927	38532.92214	44156.65111	49083.01026	61272.51816	58500.33125	44646.98856	83461.2975	87311.25619	147555.8272	77488.05589	137190.6462	69711.16074	73240.43368	63970.01047
Betaine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1813.303915	4833.622053	0	3956.491372	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4548.999619	0	0	0	0	0	3929.275929	8172.665145	5196.818803	0
Betaine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2637.381111	0	0	0	0	0	0	0	0	0	0	0
Betaine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Betaine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4736.234088	0	0	5439.960909	0	0	0	0	0	0	3323.182858	0	0	0	0	0
Betaine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Cys_M+0	0	0	0	0	0	0	0	0	3017.595627	2847.535977	0	4652.163835	3857.642674	4504.815968	13921.74756	5220.932638	5856.216794	20737.13004	5614.299082	7896.372477	5251.681194	5281.58378	4691.418584	6567.329017	6005.325231	3505.472074	124167.2383	3532.147323	7577.601314	4040.122181	241842.701	191668.9762	186492.7734	230065.9759	106839.6231	21637.62612	54440.98294	28013.79814	108897.7956	25066.70872	102693.9103	80105.97669	3700.711916	0	2633.140394	0
Cys_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5892.407236	0	0	0	10860.71576	8108.478066	9212.312548	11562.8436	4515.787323	0	2457.972295	0	5959.50587	0	3749.170997	5297.221922	0	0	0	0
Cys_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Cys_M+3	0	3187.527497	0	6700.541214	0	0	0	6050.405371	4111.742084	3339.397743	3386.189057	4065.146568	0	0	0	5181.925183	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9153.573069	0	0	0	0	0	0	0
Tyr_M+0	1221653.433	1085829.258	1094537.389	1069665.994	1213223.974	1146136.611	1542225.212	1045524.064	1134533.451	1131114.617	1383029.959	1311387.141	1052932.871	1592778.215	2211342.925	1298821.578	1443796.368	1683060.321	478012.8644	487726.9446	486305.3015	362316.3957	510463.9688	339897.4728	362213.6814	423663.8689	403441.7817	327980.3705	386420.0828	409246.2391	428369.4122	458886.7553	380512.2218	421861.9058	483659.0407	416374.618	416946.8789	319354.5061	767428.2833	476733.3142	645064.8139	560002.8562	156241.2729	189508.3738	172518.0871	178136.5981
Tyr_M+1	162057.6242	104152.8376	190852.4754	167019.1249	162569.5908	171792.8077	194583.1112	134920.9001	165980.1334	145939.2318	177395.0865	169887.9	141318.2072	188034.3521	247809.4376	148856.1928	171690.4311	193807.7635	51342.6202	54812.88036	51729.2421	39701.82704	57962.86414	42139.58153	48853.9602	56418.0174	48729.99086	43976.68247	56110.27226	65635.57188	56923.9953	50627.91177	88956.20007	114236.3018	148924.9204	94819.47843	141053.5947	82050.19528	118866.9095	99548.20325	93118.45252	97107.82866	82584.84774	120020.467	113144.2009	143264.9833
Tyr_M+2	16051.152	20941.48313	19773.0093	14930.65531	16322.5839	19018.08886	21241.90627	16460.40539	15737.70306	17313.16197	18360.87479	19630.16865	16988.28314	21580.08393	27107.00342	15681.17253	21118.69876	20378.99082	8075.027711	7818.838824	8362.969487	9385.196977	7394.193563	6750.870387	9388.686182	5249.431967	6291.981612	6002.384908	5554.584091	7455.774555	7306.540645	7949.641582	9710.662508	7734.909663	0	11279.44917	9195.376331	7627.232294	12612.07758	8388.354017	0	9565.382674	4296.889778	8400.983292	7614.493844	6259.114691
Tyr_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	1480.419879	1568.733444	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Tyr_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Tyr_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Tyr_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Tyr_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Tyr_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Tyr_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Asp_M+0	1334802.118	1117899.846	1107963.661	1017940.349	772214.0032	684352.3387	924491.9955	1418818.771	1391926.609	1484922.357	1332355.795	1218311.034	987290.8117	1485306.881	1356370.926	1056840.564	1208070.594	1212855.599	400440.9725	444603.2758	423451.3552	346799.7967	3702508.757	2774548.547	3045402.828	2907494.231	3524703.748	3683468.178	3386513.258	3500499.579	4520684.487	4946927.57	4146797.164	4276022.054	2851019	2903361.97	2999613.995	2251474.21	1923026.441	1686306.59	1916759.595	1723945.309	1015326.898	1237239.103	1093544.255	1094737.789
Asp_M+1	65696.90657	55412.40861	60005.26558	56827.92842	45257.03969	38770.58086	50963.6129	80802.75898	74585.66165	82627.27179	93774.86781	83056.067	74899.65571	100404.1838	102718.2609	75825.14534	78723.32787	87974.46624	43888.60776	48044.45415	47862.66714	42824.20429	167481.7037	127214.9135	145408.9398	136419.5348	161291.3757	169785.6563	158517.6208	162865.2117	219049.8623	245987.9416	202767.9733	203644.5708	157224.6583	165683.5415	172295.2188	137844.4985	159268.2813	142545.1044	157978.3845	131815.4857	80363.65721	94455.00491	83421.43681	84856.4773
Asp_M+2	10961.88521	9224.292492	8276.891889	8873.352129	8985.045098	7853.607055	12934.02815	93358.87804	68043.80933	77817.47298	249649.5151	225750.7345	192464.5464	264288.1551	353761.8328	201922.0037	213729.2131	248036.5325	130836.2434	141205.7093	148323.0298	115031.9788	33315.69662	23072.55718	26235.42162	23996.52462	30134.8564	31332.84819	29491.97729	30757.25212	162892.5454	176644.4251	150725.9798	136248.5374	166034.3726	211735.409	242835.884	180814.0828	372132.9593	293679.2753	335015.8292	279016.3301	160202.1072	190395.6607	178711.9843	175921.1146
Asp_M+3	0	0	0	0	0	0	0	17080.46584	12186.52949	15293.82998	78504.32669	74833.45603	64388.95187	78469.54898	121446.8379	60560.71784	62068.93962	75897.68432	72735.0829	76930.99081	76909.88545	59368.18213	0	0	0	0	10477.66866	10276.26616	9282.618861	9823.501451	60447.87362	62157.6499	51672.14219	53370.17232	48009.25428	57016.97915	63685.11889	48734.60473	119016.211	95283.58349	106619.7916	83488.64277	54575.96219	65683.15538	61414.11731	58675.6628
Asp_M+4	0	0	0	0	0	0	0	3583.304114	0	0	13904.10077	12772.56279	13409.80971	13100.68966	26784.87784	10919.97506	11337.15983	13386.02663	28864.78784	25704.4259	29953.5093	23703.13776	0	0	0	0	0	0	0	0	4659.133691	5499.734209	4778.579808	3550.270694	5012.165321	7349.34935	7697.552044	6850.309999	22028.30167	18038.04476	19300.24422	14173.57651	9929.629286	10595.51917	11554.81153	10646.82802
IS_Methionine sulfone	1393000.604	1371130.916	1356224.195	1178740.347	1317819.487	1382896.944	1536032.035	1315487.414	1492916.274	1396171.915	1337452.178	1335666.29	1087210.497	1411847.552	1098026.377	1052638.486	1241298.308	1097032.383	1600595.196	1609227.861	1711085.049	1595511.146	1343863.598	1187286.259	1325477.385	1172810.013	1331246.442	1287611.788	1333798.976	1401306.942	1327494.39	1530527.475	1194749.098	1262804.91	1303141.372	1165727.851	1312912.433	1021263.048	1161559.487	1017609.424	1020898.619	1011443.116	1009571.762	1261700.538	1107578.379	1034891.59
trans-4-Hydroxyproline_M+0	1626163.65	1474574.123	1488974.816	1394492.49	1314719.289	1212574.244	1663323.273	1337851.751	1417065.558	1438813.636	1988906.994	1858131.152	1521514.278	2292264.061	3799263.61	2091041.919	2291612.875	2890096.78	800680.9925	786424.981	805601.2762	606146.8756	1671689.145	1236772.9	1302578.681	1503414.888	1214541.803	1153433.779	1232542.752	1311763.898	1150901.886	1236488.655	1023722.932	1108628.046	1375435.072	1233765.886	1228755.455	922123.3363	2598035.809	1674258.667	2198300.691	1879431.599	385288.7018	462497.9315	422027.9981	419039.5709
trans-4-Hydroxyproline_M+1	93554.86252	87009.21139	88297.28069	83118.87292	78345.65959	72149.47416	101107.8474	78851.97759	84838.38393	84832.26653	114741.0941	109129.1794	89465.16519	133132.3987	211194.1234	124957.6477	135762.0417	162190.6885	46457.68694	46973.65746	52486.39653	42128.61365	99721.6873	76497.59284	78566.54303	87690.57316	72120.07415	67929.84576	74066.26158	78332.73974	70375.71639	78371.00353	64296.21043	65922.74289	81465.46174	74186.52243	74340.70122	61611.48441	154101.6382	103476.2927	127804.9141	113190.5792	15226.33338	31810.48777	27351.77564	28108.85438
trans-4-Hydroxyproline_M+2	12459.92013	11348.98109	13031.42761	12069.5178	9950.059239	9691.30241	12403.71419	12410.53147	12041.13952	11969.67205	15719.97931	15153.36404	12173.47166	17995.70402	26771.09334	16454.08265	18810.63125	22921.78093	7114.026291	8560.393293	6126.824918	5614.985112	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	21265.70049	15582.46696	19831.67989	15606.51784	0	0	0	0
trans-4-Hydroxyproline_M+3	0	0	5692.106223	0	0	0	0	0	0	5219.313946	0	0	0	0	3615.083354	3951.855882	0	0	0	0	0	0	0	0	0	0	0	0	2508.055961	0	0	0	0	0	0	0	0	0	0	0	0	5116.808417	0	0	0	0
trans-4-Hydroxyproline_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
trans-4-Hydroxyproline_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+0	1589954.914	1704001.05	1489367.742	1399160.694	445342.3222	486712.454	1389191.825	695347.9182	796258.0103	533329.0305	1374376.18	1568028.842	1491110.603	2105073.19	1318586.219	799709.258	1379346.867	883283.3437	242360.9086	279641.0059	275223.565	225377.634	8319846.812	5539122.544	4754576.365	5327282.317	581105.2689	7285277.523	3960645.384	3630069.366	508741.0564	1066662.931	648145.263	439696.8147	2688359.601	6718367.48	3933432.871	2551866.964	3162749.088	3547480.312	2532438.804	2564181.916	1317157.68	2975104.112	2667424.247	3205389.944
Glutathione (GSSG)_divalent_M+1	290386.4537	306994.5087	260650.2876	248724.7307	70565.74368	79206.24951	254145.0939	164224.5878	185626.1821	118117.8332	576562.9505	681577.5844	644534.8417	907498.973	812441.7975	398779.7514	675692.1955	453947.3715	207660.6767	234802.3765	242080.3753	188375.0517	1888581.443	1214822.39	989618.991	1183009.768	101317.1236	1632452.861	823593.0475	751753.1561	108893.2147	248059.9086	138228.5004	99132.90229	853913.8557	2677756.24	1491274.911	919566.769	2243690.295	2469655.225	1634463.196	1570768.49	836624.2619	1909789.786	1810261.877	2129969.451
Glutathione (GSSG)_divalent_M+2	17352.38584	22906.51449	19736.28095	12593.11971	3497.281371	4361.85494	12641.8783	16355.5537	15976.80243	8141.021616	116088.2629	142264.1988	136126.5121	176882.4636	237951.6012	91715.99732	154978.5011	110701.5254	109859.5717	111008.5771	123988.8988	93189.04256	169778.2496	102355.0632	82455.70792	101115.1905	4973.569973	148434.9465	72019.40491	62406.05733	5928.535248	18636.0607	12588.26749	6863.902489	105845.8971	346424.8962	212509.2396	136096.3196	599240.4231	616119.4509	421805.2461	400167.504	244835.0874	506798.7702	515440.1814	574125.694
Glutathione (GSSG)_divalent_M+3	5408.840126	6392.008485	3771.87904	3898.816121	0	0	3633.670414	0	3879.495654	0	32110.27814	40347.51492	38800.08259	52320.68595	73628.17943	23182.83879	41426.54024	30363.62455	40266.64533	41476.89869	47817.53551	35032.7304	52758.78259	34570.80967	24271.44364	35221.34889	0	46676.02758	21310.68351	15943.41884	2898.380565	6516.634944	3162.059382	0	34498.86571	135439.0869	71620.03488	41815.09935	238563.1771	240522.2518	144632.6173	138294.3267	74944.36997	176064.9868	178167.023	209807.9638
Glutathione (GSSG)_divalent_M+4	0	0	0	0	0	0	0	0	0	0	3801.498551	5629.904461	5506.962035	7879.545137	14170.96257	2581.431005	6899.465314	4161.522381	10895.57819	8052.227097	9832.24667	6810.217556	5184.340374	0	0	2019.445606	0	3701.594756	3223.124043	0	0	0	0	0	4905.876294	19409.99751	10764.90879	7104.019087	42359.8056	40256.11568	25136.98422	21347.65059	11250.97592	28090.55271	29592.21257	37803.40249
Glutathione (GSSG)_divalent_M+5	0	0	0	0	0	0	0	0	0	0	1994.618895	0	2701.161249	4842.988468	7336.703012	0	3357.884729	0	0	0	4077.996421	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8969.408871	4751.032495	0	21701.08271	19143.73389	12821.54541	11930.62278	1645.550388	14245.01926	14239.30703	18606.82564
Glutathione (GSSG)_divalent_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1956.554914	0	0	5371.190501	4870.345635	2499.746047	0	0	3194.835784	4389.80211	4847.043485
Glutathione (GSSG)_divalent_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3294.828536	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2817.13304	1361.224314	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1595.002478	0	0	0	0	0	3046.590607	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3568.280037	0	0
Glutathione (GSSG)_divalent_M+13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+15	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+17	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSSG)_divalent_M+19	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4004.399053	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1861.668526	0	0	0	0
Glutathione (GSSG)_divalent_M+20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
γ-Glu-Cys_M+0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	17066.96773	30164.79882	40360.61409	27856.60734	111177.0675	46428.20748	71419.32847	78834.92016	103958.2348	93130.0442	89251.42492	88594.78308	28363.78556	11978.18588	31594.84008	25691.72537	21381.40928	17784.97872	23489.65986	20325.44815	15290.72259	11478.92058	11873.18796	8778.429306
γ-Glu-Cys_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3921.756897	2508.658348	11244.1178	3478.855919	7253.227639	7662.35926	10828.06783	9802.304937	9855.295073	10351.15541	3440.592764	0	3802.450581	3349.078324	2518.847276	0	2438.436293	0	0	0	0	0
γ-Glu-Cys_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2679.062481	0	0	0	0	0	0	0	0	0	2434.829095	0	0	0	0
γ-Glu-Cys_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
γ-Glu-Cys_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
γ-Glu-Cys_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2135.581811	0	0	0	0	0	0	0	0	0	0	0	0	0	0
γ-Glu-Cys_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
γ-Glu-Cys_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
γ-Glu-Cys_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSH)_M+0	2969583.672	2518953.84	2961835.18	2441552.829	2739183.995	2403388.383	2203265.136	3140370.198	2726644.239	3207876.689	3567827.712	3127709.004	2268226.182	2918784.674	3925328.667	3740961.211	3076611.305	3958744.865	1567099.441	1625881.91	1545142.837	1174635.606	3778924.71	7479793.877	10847085.31	6513608.629	14188988.15	7084302.363	10471758.21	11230206.32	16899347.23	17248574.09	15772259.18	15260568.62	10448105.97	4916104.688	12145329.63	10504126.24	11250088.45	8794490.613	10849378.58	9595459.742	7347916.154	6636155.56	6123781.827	5161505.22
Glutathione (GSH)_M+1	354683.3694	302450.3663	351620.0511	295283.3633	330443.0528	292011.4762	273448.1845	383422.1284	335789.7805	394109.4893	442057.8908	392525.3462	290239.5488	366661.4037	504877.3797	465406.8047	392510.5654	502204.5772	226321.9923	234563.814	224966.9687	168118.9722	452572.0521	852466.3608	1222399.473	755138.1747	1642974.212	811724.1329	1186003.07	1285968.442	2003224.546	2048107.54	1861404.371	1820910.462	1202664.889	580463.8154	1446501.882	1237958.91	1450074.093	1131272.713	1386906.307	1214195.876	945922.2395	857772.9461	794111.4446	673724.1353
Glutathione (GSH)_M+2	0	0	0	0	0	1451.215695	2054.152931	18753.99696	4246.966944	21021.64366	536017.2798	473341.2559	358442.9783	426301.25	887150.3298	678137.9537	547098.7689	755335.5691	576547.7645	559637.1148	575077.101	412695.8691	0	0	0	1828.736506	0	0	0	0	0	3779.503238	0	3548.096933	861734.8126	510916.2456	1326245.285	1130635.42	2766380.504	2006638.83	2466934.076	2080316.422	1720153.995	1517570.237	1487187.997	1223056.975
Glutathione (GSH)_M+3	0	0	0	0	0	0	0	9565.934449	7368.046071	1823.195783	93910.63912	84702.08426	64053.35592	73440.43599	179516.1382	116320.8289	97367.67703	140913.8695	164547.0905	156668.8627	164331.0771	116909.593	0	0	0	0	0	0	0	0	0	2492.8939	0	0	94555.63321	46150.24587	155038.063	145409.4094	442172.9425	332953.822	404204.8129	328797.7797	306747.1551	267356.2959	271867.7245	219864.6352
Glutathione (GSH)_M+4	0	0	0	0	0	0	0	0	0	3703.443578	59719.08829	51390.87493	44936.52811	38036.64517	139738.0443	84217.6353	64292.59202	97332.73375	170560.7531	151825.1964	166973.5408	116840.9469	0	0	0	0	0	0	0	0	0	0	0	0	12509.25342	17990.79012	48670.32109	58630.19282	377446.6652	265939.7253	318966.1785	254834.8338	248058.8335	217787.4283	224252.4085	180016.3229
Glutathione (GSH)_M+5	0	0	0	0	0	0	0	0	0	0	10562.06816	8921.824863	9527.797296	10050.99141	37870.50996	18491.70197	14602.65545	20376.25354	65747.63654	54249.64595	60523.17404	41140.96271	0	0	0	0	0	0	0	0	1389.007813	0	0	2153.163907	6281.608038	4966.811357	9931.124198	10085.71776	84096.95794	57577.2676	66826.65697	52646.78639	61860.3411	54824.33242	54002.42345	43054.36896
Glutathione (GSH)_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1535.336353	6269.011845	4143.267542	5660.82887	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	24506.45586	16399.65837	13316.98201	9980.845445	10992.22511	6194.377717	9702.375289	4104.281988
Glutathione (GSH)_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4501.780592	4739.943655	2522.978113	0	0	1158.794449	3453.995247	1943.225873
Glutathione (GSH)_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSH)_M+9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutathione (GSH)_M+10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Hypotaurine_M+0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	48629.74073	43852.45187	49970.61342	46218.68642	40253.2154	47701.87786	43122.17709	42958.06934	43152.23701	48749.61347	43122.51125	38922.95068	30075.64918	35525.78938	42997.44569	30977.40844	41605.3856	36110.40789	0	32362.12143	7631.792137	9449.445143	9931.924196	8513.706053
Hypotaurine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Hypotaurine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Phosphorylcholine_M+0	1554879.557	1533868.228	1509334.206	1372349.228	999847.3252	881264.6048	1141547.101	1154844.598	1002343.909	1081063.732	2027425.143	1930114.345	1674207.43	2171946.339	0	1461468.116	1627320.607	1758454.46	1463029.036	1518845.33	1499676.35	1139273.896	1662473.532	1350908.09	1560364.777	1442936.256	1535676.578	1698017.952	1448410.164	1506562.428	2312756.884	2437318.556	2050533.597	2024084.882	1279051.435	1596338.254	1819406.993	1289240.338	1609972.746	1335474.036	1351806.257	1059330.792	915139.8068	1272088.973	1157420.875	1133415.962
Phosphorylcholine_M+1	95852.47289	97259.04817	91508.93051	44189.75739	63834.5326	57946.10101	74679.68865	48542.28756	65370.20492	70243.35479	125385.1688	117345.2099	106259.0298	130053.8774	0	95952.12874	102631.738	109725.1606	88760.79617	90766.74788	93432.78062	68784.61938	100433.662	86539.70942	98473.5235	88548.33066	91374.69373	101963.8319	74475.0394	94367.6012	136519.9485	141846.7316	122445.9516	121014.3861	82338.34329	101589.0982	111050.6822	78961.20828	100422.1482	84802.35711	84563.35182	67574.61107	58456.90024	82054.01421	73590.80355	73823.25697
Phosphorylcholine_M+2	14732.90119	14726.748	0	0	7745.753053	8082.823404	0	12456.55166	9443.93103	10448.43736	19655.01424	19436.31602	15865.58969	6745.237268	0	13550.87264	13392.89482	17974.11517	15536.85259	15461.62411	14560.41312	11051.18087	16279.43169	11600.09276	5028.744205	13299.23569	14491.78374	16084.89177	13327.82144	15725.61405	21938.01637	23146.34682	18557.40526	18048.90074	10773.63214	16221.21534	17425.183	12154.92108	16154.03158	11767.00352	13758.52461	10002.53698	9506.910731	6971.310095	9015.800582	10432.62508
Phosphorylcholine_M+3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Phosphorylcholine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Phosphorylcholine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Urea_M+0	76576.2418	76081.06868	66559.63586	52478.26122	65806.1215	74938.70166	72166.26109	63009.51928	73342.19023	72851.69759	55406.2819	77101.71875	64171.84413	71647.08493	112099.5241	100308.3989	83984.48057	101659.2429	87276.11501	0	74494.35925	58628.22267	148295.9483	57769.91261	58162.70996	57465.85382	150737.6756	54402.80516	36293.0262	63552.1965	133093.5173	154294.4394	151019.2869	147808.4009	66858.12351	197925.4804	68111.75492	50616.6986	68234.90918	52422.70023	71371.11645	75362.87946	59644.44816	62742.16732	65098.40121	68406.05167
Urea_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glycerophosphocholine_M+0	213592.1547	193459.6429	173319.2158	227192.7143	336365.9353	381709.0143	428525.4932	308077.4469	433804.7453	428895.5855	354478.1386	320505.1594	261099.1057	471476.4675	281815.9377	207206.3836	233160.8633	277044.7229	40603.40789	40958.08921	36259.73075	29694.3965	794999.6837	549544.4941	609087.2219	617234.1022	869208.5954	678408.6563	746263.9262	768035.203	1635359.85	1656190.879	1349225.907	1512724.317	1764302.687	1392610.49	1283408.971	864221.8424	636920.4243	494926.1098	539702.5696	493464.4083	216614.7261	327874.323	270730.1805	306156.8465
Glycerophosphocholine_M+1	22965.0076	20112.60888	18234.14748	22404.95759	32261.28242	41037.44517	43375.90439	32921.94209	43049.78878	41950.51792	36191.59794	34360.66902	29037.47359	45201.89159	28940.98616	21916.87488	25141.52726	25125.41753	0	0	0	0	79736.31274	52516.6779	58710.1407	59603.18928	86818.12584	64948.4191	71968.02887	74599.36357	153650.5038	151986.1473	131663.1809	145428.5792	166231.6032	131191.9255	122079.4537	86368.90987	61533.78717	48301.89658	55738.54996	52383.36274	23529.99903	34511.75245	28336.97857	30856.98047
Glycerophosphocholine_M+2	0	0	0	0	0	3426.716154	0	0	6411.956576	7404.983577	0	0	0	0	6575.986436	0	0	0	0	0	0	0	5748.594767	8421.251758	8515.978613	8010.415941	12941.55669	10777.69758	5977.894826	11580.75139	4636.891009	22926.96445	18968.97218	20072.29923	30790.41057	22463.03811	21048.43129	14417.14503	11601.93919	8121.843101	2693.474151	10041.50286	5497.582973	1279.740044	6696.713684	2504.66024
Glycerophosphocholine_M+3	0	0	0	0	0	0	0	6208.019125	6799.475899	11307.11783	36283.9838	35359.55115	27334.85222	44068.16838	68091.95568	45008.21469	50487.53435	61023.8935	29650.7945	29167.99977	28819.86572	21419.8448	0	0	0	0	0	0	0	0	24711.73619	25052.30865	23168.24185	22778.71623	81270.1831	65968.27597	64097.68266	43435.25538	139675.5646	98808.76167	104867.7626	96150.49552	104003.4424	157404.2674	132166.7274	135666.3233
Glycerophosphocholine_M+4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6560.993079	4822.224652	0	0	8647.675901	6980.716232	7369.996547	4621.903243	6419.973443	9520.715937	6735.138471	8486.359538
Glycerophosphocholine_M+5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glycerophosphocholine_M+6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glycerophosphocholine_M+7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glycerophosphocholine_M+8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
DPA	1023109.723	1041913.028	1033561.14	986045.9888	976700.4792	998570.6406	1062402.247	959478.5736	1094055.493	1031009.115	1000782.773	976118.4359	1063722.09	960627.809	963555.5797	992691.0886	997016.0056	952080.5757	1202086.52	1125046.918	1242387.43	1129535.519	956530.8965	939850.7819	1032375.592	1098650.194	1021327.753	979716.8061	1010278.045	982349.3569	1012898.527	1131682.288	960813.5504	985674.3348	998820.5237	1005600.977	970170.503	933534.3881	1062794.596	1045975.719	966843.3483	940321.4889	918282.2062	1003145.507	920722.7908	866289.9051
Taurine_M+0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	8867.617657	0	0	0	0	0	0	0	0	0	0	0	0	0	4318.224485	0	0	0	0	0	0
Taurine_M+1	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Taurine_M+2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0

metabolite_name	quantified m/z	Migration time	KEGG ID	HMDB ID
3-AP	87.091674	4.4199834	-	-
Spermine_M+0	203.2230	4.465	C00750	HMDB01256
Spermine_M+1	204.226372	4.465	C00750	HMDB01256
Spermine_M+2	205.229722	4.465	C00750	HMDB01256
Spermine_M+3	206.233072	4.465	C00750	HMDB01256
Spermine_M+4	207.236422	4.465	C00750	HMDB01256
Spermine_M+5	208.239772	4.465	C00750	HMDB01256
Spermine_M+6	209.243122	4.465	C00750	HMDB01256
Spermine_M+7	210.246472	4.465	C00750	HMDB01256
Spermine_M+8	211.249822	4.465	C00750	HMDB01256
Spermine_M+9	212.253172	4.465	C00750	HMDB01256
Spermine_M+10	213.256522	4.465	C00750	HMDB01256
Spermidine_M+0	146.1652	4.522	C00315	HMDB01257
Spermidine_M+1	147.168523	4.522	C00315	HMDB01257
Spermidine_M+2	148.171873	4.522	C00315	HMDB01257
Spermidine_M+3	149.175223	4.522	C00315	HMDB01257
Spermidine_M+4	150.178573	4.522	C00315	HMDB01257
Spermidine_M+5	151.181923	4.522	C00315	HMDB01257
Spermidine_M+6	152.185273	4.522	C00315	HMDB01257
Spermidine_M+7	153.188623	4.522	C00315	HMDB01257
Putrescine_M+0	89.1073	4.716	C00134	HMDB01414
Putrescine_M+1	90.110674	4.716	C00134	HMDB01414
Putrescine_M+2	91.114024	4.716	C00134	HMDB01414
Putrescine_M+3	92.117374	4.716	C00134	HMDB01414
Putrescine_M+4	93.120724	4.716	C00134	HMDB01414
N8-Acetylspermidine_M+0	188.1757	6.387	C01029	HMDB02189
N8-Acetylspermidine_M+1	189.179088	6.387	C01029	HMDB02189
N8-Acetylspermidine_M+2	190.182438	6.387	C01029	HMDB02189
N8-Acetylspermidine_M+3	191.185788	6.387	C01029	HMDB02189
N8-Acetylspermidine_M+4	192.189138	6.387	C01029	HMDB02189
N8-Acetylspermidine_M+5	193.192488	6.387	C01029	HMDB02189
N8-Acetylspermidine_M+6	194.195838	6.387	C01029	HMDB02189
N8-Acetylspermidine_M+7	195.199188	6.387	C01029	HMDB02189
N8-Acetylspermidine_M+8	196.202538	6.387	C01029	HMDB02189
N8-Acetylspermidine_M+9	197.205888	6.387	C01029	HMDB02189
Thiamine_M+0	265.1123	6.588	C00378	HMDB00235
Thiamine_M+1	266.115658	6.588	C00378	HMDB00235
Thiamine_M+2	267.119008	6.588	C00378	HMDB00235
Thiamine_M+3	268.122358	6.588	C00378	HMDB00235
Thiamine_M+4	269.125708	6.588	C00378	HMDB00235
Thiamine_M+5	270.129058	6.588	C00378	HMDB00235
Thiamine_M+6	271.132408	6.588	C00378	HMDB00235
Thiamine_M+7	272.135758	6.588	C00378	HMDB00235
Thiamine_M+8	273.139108	6.588	C00378	HMDB00235
Thiamine_M+9	274.142458	6.588	C00378	HMDB00235
Thiamine_M+10	275.145808	6.588	C00378	HMDB00235
Thiamine_M+11	276.149158	6.588	C00378	HMDB00235
Thiamine_M+12	277.152508	6.588	C00378	HMDB00235
Ornithine_M+0	133.0972	6.837	C00077,C00515,C01602	HMDB00214,HMDB03374
Ornithine_M+1	134.100504	6.837	C00077,C00515,C01602	HMDB00214,HMDB03374
Ornithine_M+2	135.103854	6.837	C00077,C00515,C01602	HMDB00214,HMDB03374
Ornithine_M+3	136.107204	6.837	C00077,C00515,C01602	HMDB00214,HMDB03374
Ornithine_M+4	137.110554	6.837	C00077,C00515,C01602	HMDB00214,HMDB03374
Ornithine_M+5	138.113904	6.837	C00077,C00515,C01602	HMDB00214,HMDB03374
Choline_M+0	104.1070	6.876	C00114	HMDB00097
Choline_M+1	105.11034	6.876	C00114	HMDB00097
Choline_M+2	106.11369	6.876	C00114	HMDB00097
Choline_M+3	107.11704	6.876	C00114	HMDB00097
Choline_M+4	108.12039	6.876	C00114	HMDB00097
Choline_M+5	109.12374	6.876	C00114	HMDB00097
Lys_M+0	147.1128	6.906	C00047,C00739,C16440	HMDB00182,HMDB03405
Lys_M+1	148.116154	6.906	C00047,C00739,C16440	HMDB00182,HMDB03405
Lys_M+2	149.119504	6.906	C00047,C00739,C16440	HMDB00182,HMDB03405
Lys_M+3	150.122854	6.906	C00047,C00739,C16440	HMDB00182,HMDB03405
Lys_M+4	151.126204	6.906	C00047,C00739,C16440	HMDB00182,HMDB03405
Lys_M+5	152.129554	6.906	C00047,C00739,C16440	HMDB00182,HMDB03405
Lys_M+6	153.132904	6.906	C00047,C00739,C16440	HMDB00182,HMDB03405
1-Aminocyclopropane-1-carboxylic acid_M+0	102.0550	7.043	C01234	-
1-Aminocyclopropane-1-carboxylic acid_M+1	103.058305	7.043	C01234	-
1-Aminocyclopropane-1-carboxylic acid_M+2	104.061655	7.043	C01234	-
1-Aminocyclopropane-1-carboxylic acid_M+3	105.065005	7.043	C01234	-
1-Aminocyclopropane-1-carboxylic acid_M+4	106.068355	7.043	C01234	-
S-Adenosylmethionine_M+0	399.1445	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+1	400.147867	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+2	401.151217	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+3	402.154567	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+4	403.157917	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+5	404.161267	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+6	405.164617	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+7	406.167967	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+8	407.171317	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+9	408.174667	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+10	409.178017	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+11	410.181367	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+12	411.184717	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+13	412.188067	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+14	413.191417	7.088	C00019	HMDB01185
S-Adenosylmethionine_M+15	414.194767	7.088	C00019	HMDB01185
Arg_M+0	175.1190	7.088	C00062,C00792	HMDB00517,HMDB03416
Arg_M+1	176.122302	7.088	C00062,C00792	HMDB00517,HMDB03416
Arg_M+2	177.125652	7.088	C00062,C00792	HMDB00517,HMDB03416
Arg_M+3	178.129002	7.088	C00062,C00792	HMDB00517,HMDB03416
Arg_M+4	179.132352	7.088	C00062,C00792	HMDB00517,HMDB03416
Arg_M+5	180.135702	7.088	C00062,C00792	HMDB00517,HMDB03416
Arg_M+6	181.139052	7.088	C00062,C00792	HMDB00517,HMDB03416
N6,N6,N6-Trimethyllysine_M+0	189.1598	7.202	C03793	HMDB01325
N6,N6,N6-Trimethyllysine_M+1	190.163104	7.202	C03793	HMDB01325
N6,N6,N6-Trimethyllysine_M+2	191.166454	7.202	C03793	HMDB01325
N6,N6,N6-Trimethyllysine_M+3	192.169804	7.202	C03793	HMDB01325
N6,N6,N6-Trimethyllysine_M+4	193.173154	7.202	C03793	HMDB01325
N6,N6,N6-Trimethyllysine_M+5	194.176504	7.202	C03793	HMDB01325
N6,N6,N6-Trimethyllysine_M+6	195.179854	7.202	C03793	HMDB01325
N6,N6,N6-Trimethyllysine_M+7	196.183204	7.202	C03793	HMDB01325
N6,N6,N6-Trimethyllysine_M+8	197.186554	7.202	C03793	HMDB01325
N6,N6,N6-Trimethyllysine_M+9	198.189904	7.202	C03793	HMDB01325
His_M+0	156.0768	7.309	C00135,C00768,C06419	HMDB00177
His_M+1	157.080103	7.309	C00135,C00768,C06419	HMDB00177
His_M+2	158.083453	7.309	C00135,C00768,C06419	HMDB00177
His_M+3	159.086803	7.309	C00135,C00768,C06419	HMDB00177
His_M+4	160.090153	7.309	C00135,C00768,C06419	HMDB00177
His_M+5	161.093503	7.309	C00135,C00768,C06419	HMDB00177
His_M+6	162.096853	7.309	C00135,C00768,C06419	HMDB00177
β-Ala_M+0	90.0550	7.310	C00099	HMDB00056
β-Ala_M+1	91.058305	7.310	C00099	HMDB00056
β-Ala_M+2	92.061655	7.310	C00099	HMDB00056
β-Ala_M+3	93.065005	7.310	C00099	HMDB00056
Creatinine_M+0	114.0662	7.319	C00791	HMDB00562
Creatinine_M+1	115.069538	7.319	C00791	HMDB00562
Creatinine_M+2	116.072888	7.319	C00791	HMDB00562
Creatinine_M+3	117.076238	7.319	C00791	HMDB00562
Creatinine_M+4	118.079588	7.319	C00791	HMDB00562
1-Methylnicotinamide_M+0	137.0709	7.350	C02918	HMDB00699
1-Methylnicotinamide_M+1	138.074289	7.350	C02918	HMDB00699
1-Methylnicotinamide_M+2	139.077639	7.350	C02918	HMDB00699
1-Methylnicotinamide_M+3	140.080989	7.350	C02918	HMDB00699
1-Methylnicotinamide_M+4	141.084339	7.350	C02918	HMDB00699
1-Methylnicotinamide_M+5	142.087689	7.350	C02918	HMDB00699
1-Methylnicotinamide_M+6	143.091039	7.350	C02918	HMDB00699
1-Methylnicotinamide_M+7	144.094389	7.350	C02918	HMDB00699
Nicotinamide_M+0	123.0553	7.396	C00153	HMDB01406
Nicotinamide_M+1	124.058639	7.396	C00153	HMDB01406
Nicotinamide_M+2	125.061989	7.396	C00153	HMDB01406
Nicotinamide_M+3	126.065339	7.396	C00153	HMDB01406
Nicotinamide_M+4	127.068689	7.396	C00153	HMDB01406
Nicotinamide_M+5	128.072039	7.396	C00153	HMDB01406
Nicotinamide_M+6	129.075389	7.396	C00153	HMDB01406
Adenine_M+0	136.0618	7.577	C00147	HMDB00034
Adenine_M+1	137.065121	7.577	C00147	HMDB00034
Adenine_M+2	138.068471	7.577	C00147	HMDB00034
Adenine_M+3	139.071821	7.577	C00147	HMDB00034
Adenine_M+4	140.075171	7.577	C00147	HMDB00034
Adenine_M+5	141.078521	7.577	C00147	HMDB00034
GABA_M+0	104.0706	7.655	C00334	HMDB00112
GABA_M+1	105.073955	7.655	C00334	HMDB00112
GABA_M+2	106.077305	7.655	C00334	HMDB00112
GABA_M+3	107.080655	7.655	C00334	HMDB00112
GABA_M+4	108.084005	7.655	C00334	HMDB00112
5-Amino-4-oxovaleric acid_M+0	132.0655	7.966	C00430	HMDB01149
5-Amino-4-oxovaleric acid_M+1	133.06887	7.966	C00430	HMDB01149
5-Amino-4-oxovaleric acid_M+2	134.07222	7.966	C00430	HMDB01149
5-Amino-4-oxovaleric acid_M+3	135.07557	7.966	C00430	HMDB01149
5-Amino-4-oxovaleric acid_M+4	136.07892	7.966	C00430	HMDB01149
5-Amino-4-oxovaleric acid_M+5	137.08227	7.966	C00430	HMDB01149
5-Aminovaleric acid_M+0	118.0863	8.021	C00431	HMDB03355
5-Aminovaleric acid_M+1	119.089605	8.021	C00431	HMDB03355
5-Aminovaleric acid_M+2	120.092955	8.021	C00431	HMDB03355
5-Aminovaleric acid_M+3	121.096305	8.021	C00431	HMDB03355
5-Aminovaleric acid_M+4	122.099655	8.021	C00431	HMDB03355
5-Aminovaleric acid_M+5	123.103005	8.021	C00431	HMDB03355
Guanidoacetic acid_M+0	118.0611	8.227	C00581	HMDB00128
Guanidoacetic acid_M+1	119.064453	8.227	C00581	HMDB00128
Guanidoacetic acid_M+2	120.067803	8.227	C00581	HMDB00128
Guanidoacetic acid_M+3	121.071153	8.227	C00581	HMDB00128
4-Guanidinobutyric acid_M+0	146.0924	8.272	C01035	HMDB03464
4-Guanidinobutyric acid_M+1	147.095753	8.272	C01035	HMDB03464
4-Guanidinobutyric acid_M+2	148.099103	8.272	C01035	HMDB03464
4-Guanidinobutyric acid_M+3	149.102453	8.272	C01035	HMDB03464
4-Guanidinobutyric acid_M+4	150.105803	8.272	C01035	HMDB03464
4-Guanidinobutyric acid_M+5	151.109153	8.272	C01035	HMDB03464
Gly_M+0	76.0393	8.329	C00037	HMDB00123
Gly_M+1	77.042655	8.329	C00037	HMDB00123
Gly_M+2	78.046005	8.329	C00037	HMDB00123
Gly-Gly_M+0	133.0608	8.374	C02037	HMDB11733
Gly-Gly_M+1	134.064119	8.374	C02037	HMDB11733
Gly-Gly_M+2	135.067469	8.374	C02037	HMDB11733
Gly-Gly_M+3	136.070819	8.374	C02037	HMDB11733
Gly-Gly_M+4	137.074169	8.374	C02037	HMDB11733
N-Acetylputrescine_M+0	131.1179	8.433	C02714	HMDB02064
N-Acetylputrescine_M+1	132.121239	8.433	C02714	HMDB02064
N-Acetylputrescine_M+2	133.124589	8.433	C02714	HMDB02064
N-Acetylputrescine_M+3	134.127939	8.433	C02714	HMDB02064
N-Acetylputrescine_M+4	135.131289	8.433	C02714	HMDB02064
N-Acetylputrescine_M+5	136.134639	8.433	C02714	HMDB02064
N-Acetylputrescine_M+6	137.137989	8.433	C02714	HMDB02064
Carnitine_M+0	162.1125	8.531	C00318,C00487,C15025	HMDB00062
Carnitine_M+1	163.11582	8.531	C00318,C00487,C15025	HMDB00062
Carnitine_M+2	164.11917	8.531	C00318,C00487,C15025	HMDB00062
Carnitine_M+3	165.12252	8.531	C00318,C00487,C15025	HMDB00062
Carnitine_M+4	166.12587	8.531	C00318,C00487,C15025	HMDB00062
Carnitine_M+5	167.12922	8.531	C00318,C00487,C15025	HMDB00062
Carnitine_M+6	168.13257	8.531	C00318,C00487,C15025	HMDB00062
Carnitine_M+7	169.13592	8.531	C00318,C00487,C15025	HMDB00062
Pyridoxine_M+0	170.0812	8.655	C00314	HMDB00239
Pyridoxine_M+1	171.08452	8.655	C00314	HMDB00239
Pyridoxine_M+2	172.08787	8.655	C00314	HMDB00239
Pyridoxine_M+3	173.09122	8.655	C00314	HMDB00239
Pyridoxine_M+4	174.09457	8.655	C00314	HMDB00239
Pyridoxine_M+5	175.09792	8.655	C00314	HMDB00239
Pyridoxine_M+6	176.10127	8.655	C00314	HMDB00239
Pyridoxine_M+7	177.10462	8.655	C00314	HMDB00239
Pyridoxine_M+8	178.10797	8.655	C00314	HMDB00239
S-Adenosylhomocysteine_M+0	385.1289	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+1	386.132217	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+2	387.135567	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+3	388.138917	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+4	389.142267	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+5	390.145617	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+6	391.148967	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+7	392.152317	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+8	393.155667	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+9	394.159017	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+10	395.162367	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+11	396.165717	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+12	397.169067	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+13	398.172417	8.722	C00021	HMDB00939
S-Adenosylhomocysteine_M+14	399.175767	8.722	C00021	HMDB00939
β-Leucine_M+0	132.1019	8.751	C02486	HMDB03640
β-Leucine_M+1	133.105255	8.751	C02486	HMDB03640
β-Leucine_M+2	134.108605	8.751	C02486	HMDB03640
β-Leucine_M+3	135.111955	8.751	C02486	HMDB03640
β-Leucine_M+4	136.115305	8.751	C02486	HMDB03640
β-Leucine_M+5	137.118655	8.751	C02486	HMDB03640
β-Leucine_M+6	138.122005	8.751	C02486	HMDB03640
Pyridoxal_M+0	168.0655	8.788	C00250	HMDB01545
Pyridoxal_M+1	169.06887	8.788	C00250	HMDB01545
Pyridoxal_M+2	170.07222	8.788	C00250	HMDB01545
Pyridoxal_M+3	171.07557	8.788	C00250	HMDB01545
Pyridoxal_M+4	172.07892	8.788	C00250	HMDB01545
Pyridoxal_M+5	173.08227	8.788	C00250	HMDB01545
Pyridoxal_M+6	174.08562	8.788	C00250	HMDB01545
Pyridoxal_M+7	175.08897	8.788	C00250	HMDB01545
Pyridoxal_M+8	176.09232	8.788	C00250	HMDB01545
Creatine_M+0	132.0768	8.841	C00300	HMDB00064
Creatine_M+1	133.080103	8.841	C00300	HMDB00064
Creatine_M+2	134.083453	8.841	C00300	HMDB00064
Creatine_M+3	135.086803	8.841	C00300	HMDB00064
Creatine_M+4	136.090153	8.841	C00300	HMDB00064
Ala_M+0	90.0550	9.022	C00041,C00133,C01401	HMDB00161,HMDB01310
Ala_M+1	91.058305	9.022	C00041,C00133,C01401	HMDB00161,HMDB01310
Ala_M+2	92.061655	9.022	C00041,C00133,C01401	HMDB00161,HMDB01310
Ala_M+3	93.065005	9.022	C00041,C00133,C01401	HMDB00161,HMDB01310
O-Acetylcarnitine_M+0	204.1230	9.033	C02571	HMDB00201
O-Acetylcarnitine_M+1	205.126385	9.033	C02571	HMDB00201
O-Acetylcarnitine_M+2	206.129735	9.033	C02571	HMDB00201
O-Acetylcarnitine_M+3	207.133085	9.033	C02571	HMDB00201
O-Acetylcarnitine_M+4	208.136435	9.033	C02571	HMDB00201
O-Acetylcarnitine_M+5	209.139785	9.033	C02571	HMDB00201
O-Acetylcarnitine_M+6	210.143135	9.033	C02571	HMDB00201
O-Acetylcarnitine_M+7	211.146485	9.033	C02571	HMDB00201
O-Acetylcarnitine_M+8	212.149835	9.033	C02571	HMDB00201
O-Acetylcarnitine_M+9	213.153185	9.033	C02571	HMDB00201
Cys-Gly_M+0	179.0485	9.214	C01419	HMDB00078
Cys-Gly_M+1	180.051841	9.214	C01419	HMDB00078
Cys-Gly_M+2	181.055191	9.214	C01419	HMDB00078
Cys-Gly_M+3	182.058541	9.214	C01419	HMDB00078
Cys-Gly_M+4	183.061891	9.214	C01419	HMDB00078
Cys-Gly_M+5	184.065241	9.214	C01419	HMDB00078
Argininosuccinic acid_M+0	291.1299	9.438	C03406	HMDB00052
Argininosuccinic acid_M+1	292.13325	9.438	C03406	HMDB00052
Argininosuccinic acid_M+2	293.1366	9.438	C03406	HMDB00052
Argininosuccinic acid_M+3	294.13995	9.438	C03406	HMDB00052
Argininosuccinic acid_M+4	295.1433	9.438	C03406	HMDB00052
Argininosuccinic acid_M+5	296.14665	9.438	C03406	HMDB00052
Argininosuccinic acid_M+6	297.15	9.438	C03406	HMDB00052
Argininosuccinic acid_M+7	298.15335	9.438	C03406	HMDB00052
Argininosuccinic acid_M+8	299.1567	9.438	C03406	HMDB00052
Argininosuccinic acid_M+9	300.16005	9.438	C03406	HMDB00052
Argininosuccinic acid_M+10	301.1634	9.438	C03406	HMDB00052
Adenosine_M+0	268.1040	9.833	C00212	HMDB00050
Adenosine_M+1	269.107381	9.833	C00212	HMDB00050
Adenosine_M+2	270.110731	9.833	C00212	HMDB00050
Adenosine_M+3	271.114081	9.833	C00212	HMDB00050
Adenosine_M+4	272.117431	9.833	C00212	HMDB00050
Adenosine_M+5	273.120781	9.833	C00212	HMDB00050
Adenosine_M+6	274.124131	9.833	C00212	HMDB00050
Adenosine_M+7	275.127481	9.833	C00212	HMDB00050
Adenosine_M+8	276.130831	9.833	C00212	HMDB00050
Adenosine_M+9	277.134181	9.833	C00212	HMDB00050
Adenosine_M+10	278.137531	9.833	C00212	HMDB00050
Kynurenine_M+0	209.0921	9.877	C00328,C01718	HMDB00684
Kynurenine_M+1	210.095419	9.877	C00328,C01718	HMDB00684
Kynurenine_M+2	211.098769	9.877	C00328,C01718	HMDB00684
Kynurenine_M+3	212.102119	9.877	C00328,C01718	HMDB00684
Kynurenine_M+4	213.105469	9.877	C00328,C01718	HMDB00684
Kynurenine_M+5	214.108819	9.877	C00328,C01718	HMDB00684
Kynurenine_M+6	215.112169	9.877	C00328,C01718	HMDB00684
Kynurenine_M+7	216.115519	9.877	C00328,C01718	HMDB00684
Kynurenine_M+8	217.118869	9.877	C00328,C01718	HMDB00684
Kynurenine_M+9	218.122219	9.877	C00328,C01718	HMDB00684
Kynurenine_M+10	219.125569	9.877	C00328,C01718	HMDB00684
Cystathionine_M+0	223.0747	9.917	C00542,C02291	HMDB00099
Cystathionine_M+1	224.07805	9.917	C00542,C02291	HMDB00099
Cystathionine_M+2	225.0814	9.917	C00542,C02291	HMDB00099
Cystathionine_M+3	226.08475	9.917	C00542,C02291	HMDB00099
Cystathionine_M+4	227.0881	9.917	C00542,C02291	HMDB00099
Cystathionine_M+5	228.09145	9.917	C00542,C02291	HMDB00099
Cystathionine_M+6	229.0948	9.917	C00542,C02291	HMDB00099
Cystathionine_M+7	230.09815	9.917	C00542,C02291	HMDB00099
Ser_M+0	106.0499	10.005	C00065,C00716,C00740	HMDB00187,HMDB03406
Ser_M+1	107.05322	10.005	C00065,C00716,C00740	HMDB00187,HMDB03406
Ser_M+2	108.05657	10.005	C00065,C00716,C00740	HMDB00187,HMDB03406
Ser_M+3	109.05992	10.005	C00065,C00716,C00740	HMDB00187,HMDB03406
Val_M+0	118.0863	10.039	C00183,C06417,C16436	HMDB00883
Val_M+1	119.089605	10.039	C00183,C06417,C16436	HMDB00883
Val_M+2	120.092955	10.039	C00183,C06417,C16436	HMDB00883
Val_M+3	121.096305	10.039	C00183,C06417,C16436	HMDB00883
Val_M+4	122.099655	10.039	C00183,C06417,C16436	HMDB00883
Val_M+5	123.103005	10.039	C00183,C06417,C16436	HMDB00883
5'-Deoxy-5'-methylthioadenosine_M+0	298.0968	10.087	C00170	HMDB01173
5'-Deoxy-5'-methylthioadenosine_M+1	299.100188	10.087	C00170	HMDB01173
5'-Deoxy-5'-methylthioadenosine_M+2	300.103538	10.087	C00170	HMDB01173
5'-Deoxy-5'-methylthioadenosine_M+3	301.106888	10.087	C00170	HMDB01173
5'-Deoxy-5'-methylthioadenosine_M+4	302.110238	10.087	C00170	HMDB01173
5'-Deoxy-5'-methylthioadenosine_M+5	303.113588	10.087	C00170	HMDB01173
5'-Deoxy-5'-methylthioadenosine_M+6	304.116938	10.087	C00170	HMDB01173
5'-Deoxy-5'-methylthioadenosine_M+7	305.120288	10.087	C00170	HMDB01173
5'-Deoxy-5'-methylthioadenosine_M+8	306.123638	10.087	C00170	HMDB01173
5'-Deoxy-5'-methylthioadenosine_M+9	307.126988	10.087	C00170	HMDB01173
5'-Deoxy-5'-methylthioadenosine_M+10	308.130338	10.087	C00170	HMDB01173
5'-Deoxy-5'-methylthioadenosine_M+11	309.133688	10.087	C00170	HMDB01173
Ile_M+0	132.1019	10.233	C00407,C06418,C16434	HMDB00172
Ile_M+1	133.105255	10.233	C00407,C06418,C16434	HMDB00172
Ile_M+2	134.108605	10.233	C00407,C06418,C16434	HMDB00172
Ile_M+3	135.111955	10.233	C00407,C06418,C16434	HMDB00172
Ile_M+4	136.115305	10.233	C00407,C06418,C16434	HMDB00172
Ile_M+5	137.118655	10.233	C00407,C06418,C16434	HMDB00172
Ile_M+6	138.122005	10.233	C00407,C06418,C16434	HMDB00172
Leu_M+0	132.1019	10.332	C00123,C01570,C16439	HMDB00687
Leu_M+1	133.105255	10.332	C00123,C01570,C16439	HMDB00687
Leu_M+2	134.108605	10.332	C00123,C01570,C16439	HMDB00687
Leu_M+3	135.111955	10.332	C00123,C01570,C16439	HMDB00687
Leu_M+4	136.115305	10.332	C00123,C01570,C16439	HMDB00687
Leu_M+5	137.118655	10.332	C00123,C01570,C16439	HMDB00687
Leu_M+6	138.122005	10.332	C00123,C01570,C16439	HMDB00687
Asn_M+0	133.0608	10.467	C00152,C01905,C16438	HMDB00168
Asn_M+1	134.064119	10.467	C00152,C01905,C16438	HMDB00168
Asn_M+2	135.067469	10.467	C00152,C01905,C16438	HMDB00168
Asn_M+3	136.070819	10.467	C00152,C01905,C16438	HMDB00168
Asn_M+4	137.074169	10.467	C00152,C01905,C16438	HMDB00168
Pyridoxamine 5'-phosphate_M+0	249.0635	10.470	C00647	HMDB01555
Pyridoxamine 5'-phosphate_M+1	250.066837	10.470	C00647	HMDB01555
Pyridoxamine 5'-phosphate_M+2	251.070187	10.470	C00647	HMDB01555
Pyridoxamine 5'-phosphate_M+3	252.073537	10.470	C00647	HMDB01555
Pyridoxamine 5'-phosphate_M+4	253.076887	10.470	C00647	HMDB01555
Pyridoxamine 5'-phosphate_M+5	254.080237	10.470	C00647	HMDB01555
Pyridoxamine 5'-phosphate_M+6	255.083587	10.470	C00647	HMDB01555
Pyridoxamine 5'-phosphate_M+7	256.086937	10.470	C00647	HMDB01555
Pyridoxamine 5'-phosphate_M+8	257.090287	10.470	C00647	HMDB01555
Thr_M+0	120.0655	10.527	C00188,C00820	HMDB00167
Thr_M+1	121.06887	10.527	C00188,C00820	HMDB00167
Thr_M+2	122.07222	10.527	C00188,C00820	HMDB00167
Thr_M+3	123.07557	10.527	C00188,C00820	HMDB00167
Thr_M+4	124.07892	10.527	C00188,C00820	HMDB00167
Gln_M+0	147.0764	10.755	C00064,C00303,C00819	HMDB00641,HMDB03423
Gln_M+1	148.079769	10.755	C00064,C00303,C00819	HMDB00641,HMDB03423
Gln_M+2	149.083119	10.755	C00064,C00303,C00819	HMDB00641,HMDB03423
Gln_M+3	150.086469	10.755	C00064,C00303,C00819	HMDB00641,HMDB03423
Gln_M+4	151.089819	10.755	C00064,C00303,C00819	HMDB00641,HMDB03423
Gln_M+5	152.093169	10.755	C00064,C00303,C00819	HMDB00641,HMDB03423
Pro_M+0	116.0706	10.822	C00148,C00763,C16435	HMDB00162,HMDB03411
Pro_M+1	117.073955	10.822	C00148,C00763,C16435	HMDB00162,HMDB03411
Pro_M+2	118.077305	10.822	C00148,C00763,C16435	HMDB00162,HMDB03411
Pro_M+3	119.080655	10.822	C00148,C00763,C16435	HMDB00162,HMDB03411
Pro_M+4	120.084005	10.822	C00148,C00763,C16435	HMDB00162,HMDB03411
Pro_M+5	121.087355	10.822	C00148,C00763,C16435	HMDB00162,HMDB03411
Glu-Glu_M+0	277.1030	10.879	C01425	-
Glu-Glu_M+1	278.106379	10.879	C01425	-
Glu-Glu_M+2	279.109729	10.879	C01425	-
Glu-Glu_M+3	280.113079	10.879	C01425	-
Glu-Glu_M+4	281.116429	10.879	C01425	-
Glu-Glu_M+5	282.119779	10.879	C01425	-
Glu-Glu_M+6	283.123129	10.879	C01425	-
Glu-Glu_M+7	284.126479	10.879	C01425	-
Glu-Glu_M+8	285.129829	10.879	C01425	-
Glu-Glu_M+9	286.133179	10.879	C01425	-
Glu-Glu_M+10	287.136529	10.879	C01425	-
Glu_M+0	148.0604	10.935	C00025,C00217,C00302	HMDB00148,HMDB03339
Glu_M+1	149.063785	10.935	C00025,C00217,C00302	HMDB00148,HMDB03339
Glu_M+2	150.067135	10.935	C00025,C00217,C00302	HMDB00148,HMDB03339
Glu_M+3	151.070485	10.935	C00025,C00217,C00302	HMDB00148,HMDB03339
Glu_M+4	152.073835	10.935	C00025,C00217,C00302	HMDB00148,HMDB03339
Glu_M+5	153.077185	10.935	C00025,C00217,C00302	HMDB00148,HMDB03339
2-Aminoadipic acid_M+0	162.0761	10.956	C00956	HMDB00510
2-Aminoadipic acid_M+1	163.079435	10.956	C00956	HMDB00510
2-Aminoadipic acid_M+2	164.082785	10.956	C00956	HMDB00510
2-Aminoadipic acid_M+3	165.086135	10.956	C00956	HMDB00510
2-Aminoadipic acid_M+4	166.089485	10.956	C00956	HMDB00510
2-Aminoadipic acid_M+5	167.092835	10.956	C00956	HMDB00510
2-Aminoadipic acid_M+6	168.096185	10.956	C00956	HMDB00510
Trp_M+0	205.0972	11.015	C00078,C00525,C00806	HMDB00929
Trp_M+1	206.100504	11.015	C00078,C00525,C00806	HMDB00929
Trp_M+2	207.103854	11.015	C00078,C00525,C00806	HMDB00929
Trp_M+3	208.107204	11.015	C00078,C00525,C00806	HMDB00929
Trp_M+4	209.110554	11.015	C00078,C00525,C00806	HMDB00929
Trp_M+5	210.113904	11.015	C00078,C00525,C00806	HMDB00929
Trp_M+6	211.117254	11.015	C00078,C00525,C00806	HMDB00929
Trp_M+7	212.120604	11.015	C00078,C00525,C00806	HMDB00929
Trp_M+8	213.123954	11.015	C00078,C00525,C00806	HMDB00929
Trp_M+9	214.127304	11.015	C00078,C00525,C00806	HMDB00929
Trp_M+10	215.130654	11.015	C00078,C00525,C00806	HMDB00929
Trp_M+11	216.134004	11.015	C00078,C00525,C00806	HMDB00929
Citrulline_M+0	176.1030	11.040	C00327	HMDB00904
Citrulline_M+1	177.106318	11.040	C00327	HMDB00904
Citrulline_M+2	178.109668	11.040	C00327	HMDB00904
Citrulline_M+3	179.113018	11.040	C00327	HMDB00904
Citrulline_M+4	180.116368	11.040	C00327	HMDB00904
Citrulline_M+5	181.119718	11.040	C00327	HMDB00904
Citrulline_M+6	182.123068	11.040	C00327	HMDB00904
Phe_M+0	166.0863	11.095	C00079,C02057,C02265	HMDB00159
Phe_M+1	167.089605	11.095	C00079,C02057,C02265	HMDB00159
Phe_M+2	168.092955	11.095	C00079,C02057,C02265	HMDB00159
Phe_M+3	169.096305	11.095	C00079,C02057,C02265	HMDB00159
Phe_M+4	170.099655	11.095	C00079,C02057,C02265	HMDB00159
Phe_M+5	171.103005	11.095	C00079,C02057,C02265	HMDB00159
Phe_M+6	172.106355	11.095	C00079,C02057,C02265	HMDB00159
Phe_M+7	173.109705	11.095	C00079,C02057,C02265	HMDB00159
Phe_M+8	174.113055	11.095	C00079,C02057,C02265	HMDB00159
Phe_M+9	175.116405	11.095	C00079,C02057,C02265	HMDB00159
Betaine_M+0	118.0863	11.266	C00719	HMDB00043
Betaine_M+1	119.089605	11.266	C00719	HMDB00043
Betaine_M+2	120.092955	11.266	C00719	HMDB00043
Betaine_M+3	121.096305	11.266	C00719	HMDB00043
Betaine_M+4	122.099655	11.266	C00719	HMDB00043
Betaine_M+5	123.103005	11.266	C00719	HMDB00043
Cys_M+0	122.0270	11.277	C00097,C00736,C00793	HMDB00574,HMDB03417
Cys_M+1	123.030377	11.277	C00097,C00736,C00793	HMDB00574,HMDB03417
Cys_M+2	124.033727	11.277	C00097,C00736,C00793	HMDB00574,HMDB03417
Cys_M+3	125.037077	11.277	C00097,C00736,C00793	HMDB00574,HMDB03417
Tyr_M+0	182.0812	11.344	C00082,C01536,C06420	HMDB00158
Tyr_M+1	183.08452	11.344	C00082,C01536,C06420	HMDB00158
Tyr_M+2	184.08787	11.344	C00082,C01536,C06420	HMDB00158
Tyr_M+3	185.09122	11.344	C00082,C01536,C06420	HMDB00158
Tyr_M+4	186.09457	11.344	C00082,C01536,C06420	HMDB00158
Tyr_M+5	187.09792	11.344	C00082,C01536,C06420	HMDB00158
Tyr_M+6	188.10127	11.344	C00082,C01536,C06420	HMDB00158
Tyr_M+7	189.10462	11.344	C00082,C01536,C06420	HMDB00158
Tyr_M+8	190.10797	11.344	C00082,C01536,C06420	HMDB00158
Tyr_M+9	191.11132	11.344	C00082,C01536,C06420	HMDB00158
Asp_M+0	134.0448	11.523	C00049,C00402,C16433	HMDB00191,HMDB06483
Asp_M+1	135.048135	11.523	C00049,C00402,C16433	HMDB00191,HMDB06483
Asp_M+2	136.051485	11.523	C00049,C00402,C16433	HMDB00191,HMDB06483
Asp_M+3	137.054835	11.523	C00049,C00402,C16433	HMDB00191,HMDB06483
Asp_M+4	138.058185	11.523	C00049,C00402,C16433	HMDB00191,HMDB06483
IS_Methionine sulfone	182.048157	11.922967	-	-
trans-4-Hydroxyproline_M+0	132.0655	12.020	C01157	HMDB00725
trans-4-Hydroxyproline_M+1	133.06887	12.020	C01157	HMDB00725
trans-4-Hydroxyproline_M+2	134.07222	12.020	C01157	HMDB00725
trans-4-Hydroxyproline_M+3	135.07557	12.020	C01157	HMDB00725
trans-4-Hydroxyproline_M+4	136.07892	12.020	C01157	HMDB00725
trans-4-Hydroxyproline_M+5	137.08227	12.020	C01157	HMDB00725
Glutathione (GSSG)_divalent_M+0	307.0833	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+1	308.08661	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+2	309.08996	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+3	310.09331	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+4	311.09666	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+5	312.10001	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+6	313.10336	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+7	314.10671	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+8	315.11006	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+9	316.11341	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+10	317.11676	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+11	318.12011	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+12	319.12346	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+13	320.12681	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+14	321.13016	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+15	322.13351	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+16	323.13686	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+17	324.14021	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+18	325.14356	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+19	326.14691	12.133	C00127	HMDB03337
Glutathione (GSSG)_divalent_M+20	327.15026	12.133	C00127	HMDB03337
γ-Glu-Cys_M+0	251.0696	12.717	C00669	HMDB01049
γ-Glu-Cys_M+1	252.072971	12.717	C00669	HMDB01049
γ-Glu-Cys_M+2	253.076321	12.717	C00669	HMDB01049
γ-Glu-Cys_M+3	254.079671	12.717	C00669	HMDB01049
γ-Glu-Cys_M+4	255.083021	12.717	C00669	HMDB01049
γ-Glu-Cys_M+5	256.086371	12.717	C00669	HMDB01049
γ-Glu-Cys_M+6	257.089721	12.717	C00669	HMDB01049
γ-Glu-Cys_M+7	258.093071	12.717	C00669	HMDB01049
γ-Glu-Cys_M+8	259.096421	12.717	C00669	HMDB01049
Glutathione (GSH)_M+0	308.0911	13.139	C00051	HMDB00125
Glutathione (GSH)_M+1	309.094435	13.139	C00051	HMDB00125
Glutathione (GSH)_M+2	310.097785	13.139	C00051	HMDB00125
Glutathione (GSH)_M+3	311.101135	13.139	C00051	HMDB00125
Glutathione (GSH)_M+4	312.104485	13.139	C00051	HMDB00125
Glutathione (GSH)_M+5	313.107835	13.139	C00051	HMDB00125
Glutathione (GSH)_M+6	314.111185	13.139	C00051	HMDB00125
Glutathione (GSH)_M+7	315.114535	13.139	C00051	HMDB00125
Glutathione (GSH)_M+8	316.117885	13.139	C00051	HMDB00125
Glutathione (GSH)_M+9	317.121235	13.139	C00051	HMDB00125
Glutathione (GSH)_M+10	318.124585	13.139	C00051	HMDB00125
Hypotaurine_M+0	110.0270	17.871	C00519	HMDB00965
Hypotaurine_M+1	111.030377	17.871	C00519	HMDB00965
Hypotaurine_M+2	112.033727	17.871	C00519	HMDB00965
Phosphorylcholine_M+0	184.0733	20.089	C00588	HMDB01565
Phosphorylcholine_M+1	185.076673	20.089	C00588	HMDB01565
Phosphorylcholine_M+2	186.080023	20.089	C00588	HMDB01565
Phosphorylcholine_M+3	187.083373	20.089	C00588	HMDB01565
Phosphorylcholine_M+4	188.086723	20.089	C00588	HMDB01565
Phosphorylcholine_M+5	189.090073	20.089	C00588	HMDB01565
Urea_M+0	61.0396	20.543	C00086	HMDB00294
Urea_M+1	62.042989	20.543	C00086	HMDB00294
Glycerophosphocholine_M+0	258.1101	21.097	C00670	HMDB00086
Glycerophosphocholine_M+1	259.113453	21.097	C00670	HMDB00086
Glycerophosphocholine_M+2	260.116803	21.097	C00670	HMDB00086
Glycerophosphocholine_M+3	261.120153	21.097	C00670	HMDB00086
Glycerophosphocholine_M+4	262.123503	21.097	C00670	HMDB00086
Glycerophosphocholine_M+5	263.126853	21.097	C00670	HMDB00086
Glycerophosphocholine_M+6	264.130203	21.097	C00670	HMDB00086
Glycerophosphocholine_M+7	265.133553	21.097	C00670	HMDB00086
Glycerophosphocholine_M+8	266.136903	21.097	C00670	HMDB00086
DPA	192.13829	21.4157	-	-
Taurine_M+0	126.0219	21.484	C00245	HMDB00251
Taurine_M+1	127.025292	21.484	C00245	HMDB00251
Taurine_M+2	128.028642	21.484	C00245	HMDB00251