metabolite_name	181435	181749	181896	182346	183111	183112	183601	184585	184606	184721	185631	186289	186373	186385	186428	191485	193152	196356	196557	197265	197747	198715	199594	199917	200037	200215	200332	200433	200484	200912	200967	201343	201440	201676	202201	202463	203115	203467	203581	203777	203868	207652	208069	208554	208767	209037	209164	209363	209828	210061	210166	210190	212837	213304	214460	214880
1-Methylhistidine	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N	\N
3-Methylhistidine	12.07	10.28	\N	\N	51.38	\N	3.80	\N	\N	12.66	\N	\N	\N	\N	39.79	9.48	\N	\N	\N	\N	4.61	\N	\N	4.05	\N	\N	10.98	\N	6.48	16.54	\N	\N	18.58	6.46	9.20	\N	\N	6.77	\N	\N	\N	\N	18.95	17.18	22.17	\N	20.92	19.43	\N	15.70	\N	\N	14.08	4.99	9.48	4.49
Alanine	289.73	213.22	338.89	347.91	186.05	397.06	202.25	266.60	261.53	297.68	211.27	273.63	306.14	317.52	190.85	194.28	264.68	220.09	198.13	319.51	282.52	245.96	289.14	210.27	204.27	247.64	183.40	291.44	184.11	259.28	185.02	230.04	232.11	274.84	205.38	268.76	175.68	237.79	199.94	258.09	162.12	169.01	193.13	341.64	251.80	191.05	247.18	302.32	210.99	252.34	470.46	252.71	262.78	219.44	203.48	138.91
Arginine	44.98	39.68	55.17	68.01	33.87	66.80	31.50	37.83	36.98	50.50	56.23	51.35	36.17	42.58	30.96	30.70	40.43	41.49	40.35	37.09	44.98	34.76	37.90	35.75	30.97	34.91	22.94	41.26	35.90	42.78	39.79	43.27	42.43	46.50	38.13	34.19	35.29	29.59	36.83	42.22	42.43	40.88	29.64	66.07	33.48	44.17	44.52	53.65	38.86	27.96	45.35	28.24	31.78	36.39	45.45	30.45
Asparagine	30.70	30.52	38.47	44.23	31.93	50.07	26.11	27.22	29.95	35.46	36.41	46.79	34.68	36.97	40.48	25.13	33.12	40.16	31.64	36.34	43.30	38.06	39.88	37.39	45.00	74.32	22.81	34.59	31.56	45.30	42.32	28.20	35.65	44.89	28.82	29.81	33.42	29.23	31.47	32.93	32.69	24.29	29.81	53.28	29.18	31.73	31.79	36.61	40.73	29.69	66.63	34.38	35.67	36.20	50.80	31.22
Aspartic Acid	4.05	3.07	4.59	3.30	3.65	3.96	2.61	2.67	2.15	4.78	3.23	3.24	3.45	3.46	3.93	3.21	2.60	2.59	4.48	2.62	2.05	2.40	2.15	1.38	4.97	4.37	1.79	3.58	2.51	1.80	3.27	2.40	1.56	2.56	2.00	3.40	2.47	2.70	4.10	1.99	5.57	2.10	2.15	3.00	2.41	2.32	1.74	1.78	3.69	1.11	3.45	3.39	1.16	1.10	0.95	1.32
Citrulline	17.51	18.11	21.40	16.95	26.57	30.42	12.55	23.11	14.61	21.59	23.82	25.91	18.19	22.88	17.20	21.03	13.88	12.46	23.00	23.92	25.59	21.45	24.69	15.04	20.59	17.15	20.49	19.23	16.47	22.12	19.51	20.00	18.13	23.48	16.94	16.57	23.28	20.12	15.86	18.35	18.26	12.15	13.22	26.44	22.35	19.92	20.31	18.26	19.69	18.12	18.70	13.87	16.74	15.39	12.73	11.91
Glutamic Acid	82.64	122.65	126.93	110.61	120.90	145.85	50.60	24.37	146.67	178.27	112.81	49.15	93.93	69.21	118.27	116.84	39.13	34.96	90.98	42.09	51.43	35.75	39.94	10.89	114.23	53.12	37.12	102.63	23.91	29.80	89.81	27.39	40.90	34.01	40.46	54.91	32.12	39.83	86.59	54.93	78.08	27.23	43.63	29.62	41.27	36.09	46.92	43.59	54.30	13.43	72.35	63.57	15.66	12.78	11.13	23.91
Glutamine	328.66	194.16	315.80	452.68	233.34	472.17	348.91	455.25	288.81	317.77	441.66	585.45	415.46	473.95	324.04	172.33	464.45	530.64	291.23	628.18	580.37	455.89	429.68	466.48	262.99	409.10	299.51	424.82	425.73	548.04	258.79	549.92	517.01	377.66	348.82	428.47	509.80	408.99	538.42	524.86	323.92	372.23	371.92	653.01	337.96	358.47	465.11	559.27	525.43	457.61	551.75	296.95	447.73	531.70	592.52	367.43
Glycine	149.28	107.15	137.96	177.26	136.32	250.53	99.50	106.37	213.72	151.91	203.92	153.21	151.03	203.30	115.17	143.81	173.03	138.30	177.52	146.42	156.07	177.81	157.30	147.47	173.31	133.27	158.71	155.71	124.94	183.81	145.51	129.04	125.96	241.23	107.45	107.67	169.42	140.54	147.25	208.50	117.99	124.87	128.84	179.02	135.24	153.89	149.69	150.21	124.68	118.21	183.47	118.94	141.17	147.48	151.72	101.63
Histidine	68.00	52.48	78.07	88.71	57.37	85.81	67.72	65.29	55.60	71.50	82.50	100.78	87.94	66.12	84.57	53.23	60.01	62.26	46.08	75.62	93.16	62.07	69.24	71.73	76.84	56.64	60.97	68.67	66.57	85.72	79.88	71.04	67.92	66.42	66.35	71.78	63.03	63.93	71.91	56.89	67.55	52.11	54.37	97.82	65.90	66.58	66.45	73.56	94.82	51.48	75.56	71.14	76.31	71.80	71.60	55.14
Isoleucine	28.65	23.74	56.41	29.35	51.59	75.98	27.81	36.58	32.90	43.49	41.54	54.01	39.30	38.43	53.72	34.42	32.26	40.18	37.91	42.10	45.62	42.39	30.66	50.36	46.48	40.75	25.11	37.88	36.95	42.90	40.66	35.07	41.71	45.46	28.78	33.81	39.91	31.76	43.45	39.24	48.91	29.03	35.07	49.30	59.48	44.33	41.88	43.46	47.29	35.85	43.73	49.14	38.06	37.98	34.91	21.51
Leucine	58.23	46.66	106.21	71.24	93.81	142.55	59.82	90.20	76.90	88.91	93.78	100.93	94.88	80.95	97.84	74.17	64.84	81.47	79.04	94.62	90.79	74.55	72.54	85.31	76.53	65.02	59.23	77.47	71.96	75.64	85.85	67.11	74.24	94.71	65.07	66.76	78.94	81.22	80.05	76.08	97.28	61.77	78.80	111.87	104.05	72.78	91.86	93.94	93.27	76.39	92.69	96.48	84.88	78.88	79.20	50.48
Lysine	93.39	109.81	137.38	122.83	113.19	176.27	121.47	113.95	127.66	133.18	146.14	178.89	136.13	107.96	153.67	119.32	144.78	119.26	110.39	127.84	158.64	127.92	112.37	148.94	124.44	107.91	94.87	147.36	100.41	152.96	119.37	106.18	107.52	148.34	100.40	108.80	99.69	98.47	105.87	103.53	118.84	91.95	130.71	206.89	128.08	138.20	153.78	142.59	146.92	109.55	159.74	115.11	134.66	110.48	140.83	86.54
Methionine	13.07	17.06	23.54	19.82	18.71	33.74	15.08	17.59	19.25	16.08	25.93	26.68	20.25	17.25	19.12	15.41	21.46	17.51	18.57	21.15	22.16	17.07	16.39	23.01	17.29	18.72	15.45	16.80	17.16	21.95	21.70	19.09	17.89	26.90	16.49	15.47	17.35	14.28	15.41	19.46	20.24	15.95	17.22	23.16	18.94	17.45	17.74	18.12	20.10	19.38	21.29	19.46	18.88	21.86	21.96	15.26
Ornithine	27.17	20.80	45.36	37.54	21.64	62.92	18.64	20.62	27.60	29.38	24.39	28.17	48.65	28.52	17.52	20.41	23.12	25.07	24.66	27.76	24.40	20.08	20.23	20.33	21.68	25.61	18.13	23.85	15.41	23.80	25.45	22.08	20.88	32.71	21.68	18.95	19.35	66.89	22.09	17.63	21.17	16.27	17.42	40.03	32.22	26.36	26.23	21.64	27.95	16.35	44.89	21.36	21.60	16.52	19.88	17.83
Phenylalanine	37.56	35.32	45.46	42.20	40.01	76.29	34.58	34.54	30.37	31.00	42.80	41.49	40.56	73.20	39.89	37.86	32.32	30.50	39.37	43.85	42.47	34.55	41.57	40.76	37.32	30.18	31.10	32.05	26.04	39.01	37.28	33.03	44.38	46.23	36.98	39.82	35.25	31.46	29.20	37.10	41.62	32.63	33.39	45.98	41.51	35.44	37.51	34.44	36.83	29.84	48.72	34.01	41.17	34.70	39.78	27.81
Proline	139.71	92.38	140.51	204.02	62.56	303.18	80.32	111.01	89.98	138.00	121.38	101.57	138.33	146.33	91.61	84.61	92.09	82.05	258.31	132.75	99.84	87.36	91.99	124.48	93.47	113.35	84.77	150.49	100.12	174.46	87.38	83.28	133.26	156.71	108.07	108.93	108.76	128.69	92.90	78.27	91.70	50.63	61.87	95.58	88.51	101.47	95.99	151.36	104.07	143.03	157.33	84.98	70.52	88.15	121.94	83.01
Serine	63.29	42.94	92.68	73.40	76.78	116.96	56.83	87.24	115.96	82.11	116.14	45.14	52.89	67.16	73.78	65.72	81.60	78.57	67.39	97.65	68.63	61.18	60.62	70.78	56.85	68.78	52.81	64.93	62.40	82.66	84.10	71.05	73.27	93.40	54.87	61.90	70.47	61.27	91.14	96.30	84.78	61.44	51.45	88.91	46.74	68.35	65.67	77.41	92.89	58.52	80.40	72.01	60.73	59.36	83.16	62.14
Threonine	108.28	135.35	149.17	146.31	94.23	158.64	90.35	88.41	143.42	136.57	187.36	123.76	139.17	125.73	158.68	79.96	139.65	98.71	101.99	97.26	130.25	108.06	124.75	142.29	117.01	128.89	97.39	119.00	142.55	205.84	111.61	88.60	146.75	180.98	116.56	113.15	112.28	115.84	128.00	104.61	154.02	79.82	89.73	177.96	114.11	95.09	123.19	202.15	208.79	142.36	108.54	128.68	122.89	116.28	155.58	116.84
Tryptophan	31.78	37.01	35.57	31.36	35.05	52.83	33.87	40.92	24.42	37.24	49.09	38.76	51.35	44.89	47.77	38.19	47.98	39.42	39.89	46.51	39.04	29.52	27.27	49.73	44.23	39.81	41.10	34.81	54.73	40.69	38.44	46.30	39.87	40.15	39.11	36.69	42.74	37.03	34.10	31.10	41.71	34.87	38.17	39.12	37.10	31.37	34.23	44.47	39.63	29.97	42.93	33.42	40.87	36.94	44.56	25.93
Tyrosine	25.66	43.88	49.34	62.42	36.43	92.37	24.38	26.52	37.19	32.75	50.57	38.91	34.36	45.26	30.72	34.08	40.75	38.82	35.94	37.86	43.38	32.29	34.29	35.25	41.99	31.75	32.13	43.33	24.88	49.72	38.31	26.65	34.65	71.97	30.30	37.51	27.11	29.79	34.14	38.21	42.98	34.15	34.95	53.01	33.36	36.78	38.46	55.78	41.26	36.97	61.00	34.54	41.35	38.85	33.46	33.74
Valine	145.94	116.66	183.10	177.49	205.55	208.84	119.64	156.03	144.68	189.48	205.06	178.65	155.70	154.19	213.54	141.53	124.73	154.80	128.46	176.85	164.39	152.83	129.97	159.58	143.98	109.85	128.11	183.11	128.09	175.31	171.11	143.85	138.68	156.33	118.23	147.46	157.61	157.32	162.26	132.58	178.67	123.48	155.15	218.49	190.70	148.68	171.54	191.35	202.32	151.17	162.23	153.58	158.13	145.86	155.69	91.82

metabolite_name	Retention Index	Moverz Quant	PubChem CID	InChI Key
1-Methylhistidine	2.44	340.0, 196.0	92105
3-Methylhistidine	2.51	340.0, 196.0	64969
Alanine	4.16	260.17, 171	5950	QNAYBMKLOCPYGJ-REOHCLBHSA-N
Arginine	2.68	345.21, 170.9	6322	ODKSFYDXXFIFQN-BYPYZUCNSA-N
Asparagine	2.25	303.13, 170.9	6267	DCXYFEDJOCDNAF-REOHCLBHSA-N
Aspartic Acid	2.99	304.11, 171	5960	CKLJMWTZIZZHCS-REOHCLBHSA-N
Citrulline	3.33	346.21, 171	9750	RHGKLRLOHDJJDR-BYPYZUCNSA-N
Glutamic Acid	3.35	318.11, 171.1	33032	WHUUTDBJXJRKMK-VKHMYHEASA-N
Glutamine	2.65	317.21, 171	5961	ZDXPYRJPNDTMRX-VKHMYHEASA-N
Glycine	2.81	246.08, 170.9	750	DHMQDGOQFOQNFH-UHFFFAOYSA-N
Histidine	2.07	326.21, 110	6274	HNDVDQJCIGZPNO-YFKPBYRVSA-N
Isoleucine	8.15	302.21, 170.9	6306	AGPKZVBTJJNPAG-WHFBIAKZSA-N
Leucine	8.26	302.21, 170.9	6106	ROHFNLRQFUQHCH-YFKPBYRVSA-N
Lysine	6.66	487.21, 170.9	5962	KDXKERNSBIXSRK-YFKPBYRVSA-N
Methionine	6.87	320.21, 170.9	6137	FFEARJCKVFRZRR-BYPYZUCNSA-N
Ornithine	5.93	473.22, 170.9	6262	AHLPHDHHMVZTML-BYPYZUCNSA-N
Phenylalanine	8.40	336.21, 170.9	6140	COLNVLDHVKWLRT-QMMMGPOBSA-N
Proline	4.84	286.16, 171	145742	ONIBWKKTOPOVIA-BYPYZUCNSA-N
Serine	2.60	276.11, 170.9	5951	MTCFGRXMJLQNBG-REOHCLBHSA-N
Threonine	3.74	290.11, 170.9	6288	AYFVYJQAPQTCCC-GBXIJSLDSA-N
Tryptophan	8.54	375.21, 171	6305	QIVBCDIJIAJPQS-VIFPVBQESA-N
Tyrosine	6.66	352.21, 170.9	6057	OUYCCCASQSFEME-QMMMGPOBSA-N
Valine	7.09	288.21, 171	6287	KZSNJWFQEVHDMF-BYPYZUCNSA-N