metabolite_name	S10R1	S10R2	S10R3	S11R1	S11R2	S11R3	S12R1	S12R2	S12R3	S13R1	S13R2	S13R3	S14R1	S14R2	S14R3	S15R1	S15R2	S15R3	S16R1	S16R2	S16R3	S17R1	S17R2	S17R3	S18R1	S18R2	S18R3	S19R1	S19R2	S19R3	S1R1	S1R2	S1R3	S20R1	S20R2	S20R3	S21R1	S21R2	S21R3	S22R1	S22R2	S22R3	S23R1	S23R2	S23R3	S24R1	S24R2	S24R3	S25R1	S25R2	S25R3	S26R1	S26R2	S26R3	S27R1	S27R2	S27R3	S28R1	S28R2	S28R3	S29R1	S29R2	S29R3	S2R1	S2R2	S2R3	S30R1	S30R2	S30R3	S31R1	S31R3	S32R1	S32R2	S32R3	S33R1	S33R2	S33R3	S34R1	S34R2	S34R3	S35R1	S35R2	S35R3	S36R1	S36R2	S36R3	S37R1	S37R2	S37R3	S38R1	S38R2	S38R3	S39R1	S39R2	S39R3	S3R1	S3R2	S3R3	S40R1	S40R2	S40R3	S41R2	S41R3	S42R1	S42R2	S42R3	S43R1	S43R2	S43R3	S44R1	S44R2	S44R3	S4R1	S4R2	S4R3	S5R1	S5R2	S5R3	S6R1	S6R2	S6R3	S7R1	S7R2	S7R3	S8R1	S8R2	S8R3	S9R1	S9R2	S9R3
Glutathione Disulfide	159736.2857	117768.2857	133884.5714	49438	28185.61404	34175.16129	36094.83871	31395.71429	34621.66667	17554.28571	35276.77419	16949.35484	81106.28571	19929.71429	57577.14286	111756.5714	50572.57143	68941.71429	73956.28571	20557.42857	40945.71429	84083.71429	52544	26454.375	20041.71429	22986	NA	51060.28571	33987.74194	31714.83871	104731.5385	120196.7442	114663.3333	85358.85714	49454.57143	53465.71429	47060.57143	24126	48525.14286	40925.14286	17828.57143	15502.28571	23704.57143	21030.85714	8875.428571	16120.85714	11272.28571	18902.85714	12043.14286	18754	16236	49652.57143	41870	39686.28571	48748.28571	11426.28571	28275.71429	24625.71429	36217.14286	24089.42857	40098.57143	32220	27685.86207	184868.7097	137134.9398	106039.6667	37357.14286	34410.28571	33944	47602.57143	31868.28571	46332.57143	57872.28571	38176.85714	38678.28571	39692.28571	42108.57143	32393.14286	41156	38012.57143	47506.57143	25433.42857	35016	21989.71429	33617.42857	12183.14286	25086.57143	10807.42857	20468.28571	13681.14286	16160.28571	22021.14286	10170.57143	18656.28571	13654.85714	48499.42857	83081.47059	111233.8235	14034.28571	10633.42857	10954.28571	9014	13869.71429	22758.57143	5858.571429	1808.571429	16402.28571	93935.71429	24547.42857	13435.14286	18278.85714	3566.285714	151334	152306.8571	108758.2353	74605.14286	146110.2857	153276.2857	126842.5714	98335.42857	213260.2857	60632.57143	101271.1429	110336	131864.5714	117458.2857	96474.85714	148677.1429	125307.6923	167705.5
Methylthioadenosine	841965.1429	701916	675117.1429	710500	135968.4211	98806.12903	259941.2903	302766	109151.6667	310234.8571	420282.5806	306188.0645	523651.7143	322641.7143	102691.4286	762510.8571	671232.5714	490580.8571	652871.4286	131750.8571	549719.7143	668755.4286	464137.1429	533633.75	326661.4286	93951.71429	NA	329796.8571	286248.3871	376146.7742	151268.4615	385797.6744	273031.1111	192874.5714	642117.4286	348809.1429	206126	155401.4286	245483.1429	200954.2857	114152.5714	136626.2857	175890.2857	121404.8571	116499.4286	94582.28571	164237.1429	130030	80409.42857	143697.1429	104942.8571	185773.1429	180512.5714	193828.5714	128630	107861.7143	258885.7143	80369.42857	114813.4286	71699.14286	152840.2857	104040.5714	175826.2069	608814.1935	292217.1084	521576.3333	135473.4286	86756.28571	92665.14286	120622.2857	118685.1429	147768.5714	187998.5714	107051.1429	237334.2857	125412.8571	187893.4286	114658	105859.7143	133739.7143	127552.8571	95262.85714	147620.5714	187139.4286	143305.7143	237066	196920	135758	123017.7143	96574.57143	170283.1429	145838.2857	147511.1429	113389.1429	164211.4286	380196.5714	723091.1765	644119.7059	74339.71429	100520	121486.5714	117066.8571	126270	155418.8571	106218.5714	138584	104756.5714	173932.2857	155920.2857	87142.28571	113884	92604.57143	838440.5714	869468.8571	723255.8824	659357.4286	574368	859724	530471.7143	370356.2857	435362.5714	302878.2857	402258.2857	371196.5714	851354	466013.1429	361376	798317.1429	866648.8462	1322889.5
Phenylalanine	9635463.674	5453339.11	5609017.271	10010719.85	13513636.44	9857354.896	4547750.162	6423742.272	10616391.12	5949531.947	14213805.18	9015803.709	7942142.122	7807803.231	10776055.4	9229876.264	6217180.079	4954399.538	8845806.047	14768018.43	10432525	9757222.905	6461346.871	5590677.313	6219463.404	9572537.665	10561385.55	5009852.088	5880030.114	6495140.724	6593200.818	4130373.957	3247865.044	5584681.779	14142198.76	5203727.911	13073474.41	12624807.13	17165343.29	31785580.56	10563027.87	12083690.02	14948250.14	16611970.19	24728503.46	11783644.87	13870517.05	11805742.37	7095314.301	12827369.7	8981523.726	9049310.474	6601035.677	2772231.116	9890590.06	8509245.154	5068428.633	6403727.612	8210231.117	4223325.47	14355757.72	12035747.34	11095721.15	9571954.199	6650244.684	5251930.034	8013163.738	5448273.734	3841676.26	2892845.544	5956743.395	8428622.451	10469354.16	9249225.831	7951731.111	6895545.235	4731547.92	9157551.825	18219433.91	8615340.556	11460912.18	6774859.672	9533514.228	8750078.093	10268721.57	5992816.135	7074193.164	11799748.64	9327105.211	4246775.436	4945315.19	6126322.147	7581890.604	7298694.658	10600782.38	10844402.8	8116336.877	10617136.19	13373500.29	5720269.325	5541161.948	3260562.256	4435956.254	5217459.005	5515752.345	8241023.641	7531020.187	6206907.05	7237335.102	7224718.306	8013204.046	7284457.401	8267761.216	10676716.52	7682002.504	4989339.952	8500113.015	7449471.788	21023362.1	6996186.738	5389169.816	7012222.715	5367314.348	6007329.037	5428467.619	5657467.494	7586961.68	6633764.005	7006623.651	9139125.638

metabolite_name	CHEBI	KEGGNAME	quantitated m/z	KEGG ID
Phenylalanine	CHEBI:17295	L-Phenylalanine; (S)-alpha-Amino-beta-phenylpropionic acid	166.086804	C00079
Glutathione Disulfide	CHEBI:17858	Glutathione disulfide; GSSG; Oxiglutatione; Oxidized glutathione	613.159793	C00127
Methylthioadenosine	CHEBI:17509	5'-Methylthioadenosine; Methylthioadenosine; S-Methyl-5'-thioadenosine; 5-Methylthioadenosine; 5'-Deoxy-5'-(methylthio)adenosine; Thiomethyladenosine; MTA	298.097387	C00170