Metabolite_name	RefMet_name	1B	2B	3B	4B	6B	10B	11B	12B	7B	9B
Factors	-	Group:Sham-operated	Group:Sham-operated	Group:Sham-operated	Group:Sham-operated	Group:Sham-operated	Group:TAC-operated	Group:TAC-operated	Group:TAC-operated	Group:TAC-operated	Group:TAC-operated
1_3-Diaminopropane	1,3-Diaminopropane										
1-Amino-1-cyclopentanecarboxylate	1-Azaniumylcyclopentane-1-carboxylate										
1-Aminocyclopropane-1-carboxylate	1-Aminocyclopropanecarboxylic acid										
1-Methyl-2-pyrrolidinone	N-Methylpyrrolidin-2-one										
1-Methyladenosine	1-Methyladenosine										
1-Methylhistamine	1-Methylhistamine	7.2000	6.3000	4.4000	5.8000	7.9000	7	4.5000	6.7000	5.3000	6.7000
1-Methylnicotinamide	1-Methyl nicotinamide	3.7000	3.6000	2.4000	1.6000	2.4000	3.3000	3.5000	2.3000	4.4000	3.9000
2_3-Diaminopropionate	2,3-Diaminopropionic acid										
2_4-Diaminobutyrate	2,4-Diaminobutyric acid										
2_4-Dimethylaniline	2,4-Dimethylaniline										
2AB	2S-Aminobutyric acid	6.5000	4.7000	3.4000	3.5000	5.4000	5.5000	4.8000	5.9000	4.4000	6.4000
2-Aminobenzimidazole											
2-Aminophenol	2-Aminophenol										
2^-Deoxycytidine	Deoxycytidine				0.7900						
2^-Deoxyguanosine	Deoxyguanosine										
2^-Deoxyinosine	Deoxyinosine										
2-Deoxystreptamine	2-Deoxystreptamine										
2-Guanidinobenzimidazole	2-Guanidinobenzimidazole										
3_3^_5-Triiodothyronine	Liothyronine										
3_5-Diiodo-tyrosine	3,5-Diiodo-L-tyrosine										
3-Aminoisobutyrate	3-Aminoisobutanoic acid										
3-Aminopropane-1_2-diol	(S)-3-Amino-1,2-propanediol										
3-Aminopropionitrile											
3-Chloroalanine											
3-Hydroxyanthranilate	3-Hydroxyanthranilic acid										
3-Hydroxykynurenine	Hydroxykynurenine										
3-Iodotyrosine	Iodotyrosine										
3-Methoxytyramine	3-Methoxytyramine										
3-Methyladenine	3-Methyladenine										
3-Methylguanine	3-Methylguanine										
3-Methylhistidine	3-Methylhistidine	6	4.6000	3.7000	4.8000	3.7000	5.2000	4.7000	4.8000	7.9000	6
4-Amino-3-hydroxybutyrate											
4-Aminosalicylate	Aminosalicylic acid										
4-(beta-Acetylaminoethyl)imidazole	N-Acetylhistamine										
4-Hydroxymethylimidazole	Imidazole-4-methanol										
4-Methyl-5-thiazoleethanol	5-(2-Hydroxyethyl)-4-methylthiazole										
5_6-Dimethylbenzimidazole	Dimethylbenzimidazole										
5-Aminolevulinate	5-Amino-levulinic acid										
5-Aminovalerate	5-Aminopentanoic acid										
5^-Deoxyadenosine	5'-Deoxyadenosine										
5-Hydroxyindoleacetate	5-Hydroxyindoleacetic acid										
5-Hydroxylysine	5-Hydroxylysine										
5-Hydroxytryptophan	5-Hydroxy-tryptophan										
5-Methoxyindoleacetate	5-Methoxyindoleacetic acid										
5-Methoxy-N_N-dimethyltryptamine											
5-Methoxytryptamine	5-Methoxytryptamine										
5-Methyl-2^-deoxycytidine	5-Methyl-2'-deoxycytidine										
5-Methylcytosine	5-Methylcytosine										
5-Methyltetrahydrofolate	5-Methyl-THF										
5-Methylthioadenosine	5'-Methylthioadenosine	3.2000	2.9000	3.4000	2.5000	3	2.3000	2.4000	2.7000	2.1000	2.1000
6-Aminohexanoate	Aminocaproic acid										
6-Hydroxynicotinate	6-Hydroxynicotinic acid										
6-Methylaminopurine	6-Methyladenine										
7_8-Dihydrobiopterin	7,8-Dihydrobiopterin										
7_8-Dihydroneopterin	7,8-Dihydroneopterin										
7-Methylguanine	7-Methylguanine										
Acetylcholine	Acetylcholine	0.7700		0.2300	0.2700					0.2600	
Adenine	Adenine	2.7000	3	2.4000	2.5000	3	2.4000	2.5000	2.9000	2	2.7000
Adenosine	Adenosine	17	15	15	12	16	7.4000	9.9000	9.7000	9.1000	11
ADMA	Dimethylarginine										
Agmatine	Agmatine										
AICAR (5-Aminoimidazole-4-carboxamide ribotide)	AICAR										
Ala	Alanine	1462	1325	598	953	1293	911	1061	850	532	885
Ala-Ala	Ala-Ala										
Allantoin	Allantoin	355	366	371	274	395	461	390	366	456	385
Alliin	Alliin										
alpha-Aminoadipate	Aminoadipic acid	12	13	8.9000	9.8000	12	9.8000	9.3000	9	7.4000	9.7000
alpha-Methylbenzylamine											
Alpha-Methylserine	Alpha-Methylserine										
Amantadine	Loratadine										
Aniline	Aniline										
Anserine	Anserine	125	29	21	43		16	29	22	23	17
Anthranilate	2-Aminobenzoic acid										
Arg	Arginine	95	45	41	38	41	40	46	47	44	46
Arginine ethyl ester	Ethyl arginate										
Argininosuccinate	Argininosuccinic acid	3.9000	2.2000	2.8000	2.7000		2.6000			3.6000	3.3000
Asn	Asparagine	46	40	27	28	30	33	44	29	38	30
Asp	Aspartic acid	481	578	284	377	501	557	463	401	484	472
Benzamide	Benzamide										
Benzamidine	Benzamidine										
Benzimidazole	1H-Benzimidazole										
beta-Ala	beta-Alanine	27	18	13	15	18	24	12	16	19	16
beta-Ala-Lys											
beta-Cyanoalanine	Cyanoalanine										
beta-Imidazolelactate	Imidazolelactic acid										
Betaine	Betaine	557	536	385	358	340	320	119	287	117	224
Betaine aldehyde	Betaine aldehyde										
beta-Leucine	beta-Leucine										
Betonicine	Betonicine										
Bis(3-aminopropyl)amine	Norspermidine										
Cadaverine	Cadaverine										
Canavanine	Canavanine										
Carnitine	Carnitine	1154	1305	1155	1141	1346	1295	1026	1476	1026	1351
Carnosine	Carnosine	58	12	9.6000	16	6.8000	6.1000	9.4000	11	12	8.4000
Castanospermine	Castanospermine										
Choline	Choline	293	234	219	239	279	365	254	332	336	406
Citrulline	Citrulline	45	30	27	26	24	22	21	32	28	24
Creatine	Creatine	5008	3221	3157	3809	3144	2387	3129	3135	2307	2663
Creatinine	Creatinine	13	7.8000	6.5000	8.1000	6.9000	6.5000	7.3000	7.1000	6.9000	7
Cyclohexylamine	Cyclohexylamine										
Cys	Cysteine										
Cys-Gly	Cys-Gly										
Cystathionine	Cystathionine										
Cysteamine	Cysteamine										
Cysteine-glutathione disulphide -Divalent		2.9000									
Cystine	Cystine										
Cytidine	Cytidine	6.7000	5.6000	4.7000	5.2000	5.7000	6.3000	5.6000	6.3000	5.2000	5.6000
Cytosine	Cytosine										
Desthiobiotin	Dethiobiotin										
Diethanolamine	Diethanolamine	26	9.2000	5.1000	3.4000	5.9000	4.5000	11	10	8	5.9000
Dihydrouracil	Dihydrouracil										
Diphenylamine	Diphenylamine										
DOPA	DOPA										
Dopamine	Dopamine										
Ectoine	Ectoine										
Epinephrine	Epinephrine										
GABA	gamma-Aminobutyric acid	2.8000	2	3.8000	1.8000	3.1000		4.1000	2.7000	3.6000	1.5000
gamma-Butyrobetaine	3-Dehydroxycarnitine	19	19	17	18	18	14	13	18	15	14
gamma-Glu-2AB	gamma-Glutamyl-2-aminobutanoate										
gamma-Glu-cys	gamma-Glutamylcysteine										
gamma-Guanidinobutyrate	4-Guanidinobutanoic acid				0.5400					0.8700	
Gln	Glutamine	1569	978	1412	1100	1178	787	966	1349	705	797
Glu	Glutamic acid	1051	1431	707	852	1145	815	1165	1174	795	848
Glucosaminate	Glucosaminic acid										
Glucosamine	Glucosamine	1.1000		1.7000		1.3000	1	1.1000	0.8200	1.3000	0.8700
Glu-Glu	Glu-Glu										
Glutathione(ox)	Oxidized glutathione	301	283	273	275	287	200	243	251	155	235
Glutathione(red)	Glutathione	103	135	58	87	85	129	57	127	59	192
Gly	Glycine	1015	692	521	571	593	497	591	531	484	569
Glycerophosphorylcholine	sn-Glycero-3-phosphocholine	2289	2224	1508	1230	1842	2580	3590	1856	5310	2910
Gly-Gly	Gly-Gly	4.4000	5.1000	4.7000	4.7000	4.2000	4.8000	4.4000	5.2000	1.9000	3.9000
Gly-Leu	Gly-Leu	3.3000	5.9000	4.8000	4	3.1000	1.6000	4.6000	1.8000	3.1000	2.3000
Gramine											
Guanidinoacetate	Guanidoacetic acid		5.7000	5.2000	5.8000	4.4000	5.9000			6.9000	
Guanidinosuccinate	Guanidinosuccinic acid										
Guanine	Guanine										
Guanosine	Guanosine	2.5000	2.4000	3.1000	1.5000	2.4000	2.8000	3.1000	1.5000	3.7000	3
Harman	Harman										
Hexylamine	Hexylamine										
His	Histidine	84	44	39	38	45	40	45	48	43	46
Histamine	Histamine	38	29	16	19	27	34	25	24	24	30
Histidinol	L-Histidinol										
Homocarnosine	Homocarnosine										
Homocysteine	Homocysteine										
Homocystine	Homocystine										
Homoserine	Homoserine										
Hydroxyproline	Hydroxyproline	52	33	28	27	21	21	23	21	24	20
Hydroxyurea	Hydroxyurea										
Hypotaurine	Hypotaurine	325	276	252	332	205	79	62	188	31	69
Hypoxanthine	Hypoxanthine	36	39	36	25	41	55	45	48	46	51
Ibotenate											
Ile	Isoleucine	59	44	34	33	44	45	66	48	45	44
Imidazole-4-acetate	Imidazoleacetic acid										
Indole-3-acetaldehyde	Indoleacetaldehyde										
Indole-3-acetamide	1H-Indole-3-acetamide										
Indole-3-acetate	Indoleacetic acid										
Indole-3-ethanol	Tryptophanol										
Inosine	Inosine	32	37	36	23	40	40	43	30	46	37
Isoamylamine	3-Methyl-1-butylamine										
Isobutylamine											
Isonicotinamide											
Isopropanolamine	Isopropanolamine										
Kynurenine	Kynurenine										
Leu	Leucine	101	84	62	69	87	87	121	90	88	86
Leu-Leu-Tyr	Leu-Leu-Tyr										
Lys	Lysine	255	118	98	101	102	95	106	107	105	112
Lysinamide	Lysinamide										
Mannosamine	2-Amino-2-deoxy-D-mannose										
Melamine	Melamine										
Melatonin	Melatonin										
Met	Methionine	43	35	29	24	23	25	27	24	25	28
Metformin	Metformin										
Methionine sulfoxide	Methionine sulfoxide	5.1000		2.5000							
Methionine sulfoximine	Methionine sulfoximine										
Methylguanidine	Methylguanidine										
Muramate	Muramic acid										
Muscimol	Muscimol										
N1-Acetylspermidine	N1-Acetylspermidine										
N1-Acetylspermine	N1-Acetylspermine										
N1-Acetylspermine_divalent	N1-Acetylspermine										
N1_N12-Diacetylspermine	N1,N12-Diacetylspermine										
N1_N8-Diacetylspermidine	N1,N8-Diacetylspermidine										
N6-Methyl-2^-deoxyadenosine	N6-Methyl-2'-deoxyadenosine										
N6_N6_N6-Trimethyllysine	N-6-Trimethyllysine	5.2000	4.8000	2.6000	2.9000	4.9000	3.4000	5.2000	4.1000	3.8000	4.3000
N8-Acetylspermidine	N8-Acetylspermidine										
N-Acetylglucosamine	N-Acetyl-D-glucosamine										
N-Acetylglucosylamine	N-Acetyl-beta-glucosaminylamine										
N-Acetylhistidine	N-Acetylhistidine										
N-Acetylornithine	N-Acetylornithine										
N-Acetylputrescine	N-Acetylputrescine										
N-Acetylvaline	N-Acetylvaline										
N-alpha-Benzenolarginine ethylester	Bz-Arg-OEt										
N-alpha_N-alpha-Dimethylhistidine	N,N-Dimethylhistidine										
n-Butyl a-Picolinate											
N-epsilon-Acetyllysine	N6-Acetyllysine										
N-gamma-Ethylglutamine	N(5)-Ethyl-glutamine	2.1000	2.2000	1.3000	1.5000	2	1.7000	0.8700	2	2.4000	1.8000
Nicotinamide	Niacinamide	271	372	348	294	304	340	325	401	265	331
Nicotine	Nicotine										
N-Methylalanine	N-Methylalanine										
N-Methylaniline	N-Methylaniline										
N-Methylglutamate	N-Methyl-glutamic acid										
N_N-Dimethylglycine	Dimethylglycine	4.5000	4.1000	3.2000	3.2000	4.5000		4.2000	4.6000	4.9000	
N-omega-Methyltryptamine	N-Methyltryptamine										
Noradrenaline	Xi-Norepinephrine	2.9000	3.5000	3.4000	3.8000	2.6000	2.8000	2.4000	2.2000		
Nornicotine	Nornicotine										
o-Acetylcarnitine	CAR 2:0	297	261	164	261	240	124	247	204	147	149
O-Acetylserine	O-Acetylserine										
Octopine	Octopine										
Octylamine	Octylamine										
Ophthalmate	Ophthalmic acid										
Ornithine	Ornithine	22	11	7.4000	6.7000	9.4000	6.3000	9.5000	8.2000	8.3000	10
o-Succinylhomoserine	o-Succinylhomoserine										
p-Aminobenzoate	p-Aminobenzoic acid										
Phe	Phenylalanine	56	43	38	38	42	42	45	44	41	44
Phenethylamine	Phenylethylamine										
Phenylethanolamine	2-Hydroxyphenethylamine										
Phe-Phe	Phe-Phe										
Phosphorylcholine	Choline phosphate	280	63	145	158	119	55	32	144	60	81
Picolinamide	Picolinamide										
Pipecolate	Pipecolic acid	3.1000	3.1000	2.9000	2.6000	2.5000	3.4000	2.9000	2.9000	5	3.5000
Pro	Proline	100	71	60	55	59	53	61	61	55	56
Proline betaine	Proline betaine	2.8000	3.8000	2.5000	3.2000	2.3000	2.6000	3.7000	2.8000	5.3000	3.4000
Pseudopelletierine	psi-Pelletierine										
Pterin	Pterin										
Purine	Purine										
Purine riboside	Nebularine										
Putrescine(1_4-Butanediamine)	Putrescine	2.2000	2.1000	1.6000	2	2.1000			1.6000	2.2000	2
Pyrazole	1H-pyrazole										
Pyridoxal	Pyridoxal										
Pyridoxamine	Pyridoxamine										
Pyridoxamine 5^-phosphate	Pyridoxamine 5'-phosphate	3.3000	3.3000			1.9000	2.5000	2.5000		2.3000	2.9000
Pyridoxine	Pyridoxine										
Riboflavin	Riboflavin										
Saccharopine	Saccharopine										
SAH	S-Adenosylhomocysteine	3.1000	3.7000	2.6000	3	3.6000	4.6000	3.4000	4.4000	3	4
SAM+	S-Adenosylmethionine	12	12	9.7000	9.5000	9.6000	9.1000	9.1000	10	6.5000	9.3000
Sarcosine	Sarcosine										
SDMA	Symmetric dimethylarginine										
Sepiapterin	Sepiapterin										
Ser	Serine	360	200	171	160	180	152	149	185	112	165
Serotonin	Serotonin										
S-Lactoylglutathione	S-Lactoylglutathione										
S-Methylmethionine	S-Methylmethionine										
Spermidine	Spermidine	11	10	5.9000	7.4000	8	4.4000	5.1000	9.8000	4.9000	5.9000
Spermine	Spermine										
Synephrine	Synephrine										
Taurine	Taurine	11202	9480	8903	9406	9239	7779	8043	9774	6532	8365
Taurocyamine	Taurocyamine										
Tetrahydropalmatine	Tetrahydropalmatine										
Thiamine	Thiamine										
Thiamine monophosphate	Thiamine monophosphate	5.9000	8.6000	6.1000	5.3000	6.4000	9.2000	7.6000	7	8	8.1000
Thr	Threonine	253	153	165	139	175	117	134	166	93	127
Thymidine	Thymidine	88	92	105	79	115	78	96	83	100	71
Thymine	Thymine										
trans-Zeatin	trans-Zeatin										
TRH	Thyrotropin releasing hormone										
Trientine	Trientine										
Trigonelline	Trigonelline										
Trimethylamine N-oxide	Trimethylamine N-oxide	4.2000	2.5000	2	2.3000	2.3000	1.2000	2.1000	1.8000	1.7000	4.5000
Trimethylsulfonium	Trimethyl sulfonium										
Tropine	Pseudotropine										
Tropinone	Tropinone										
Trp	Tryptophan	22	23	19	20	21	20	21	21	19	20
Tryptamine	Tryptamine										
Tyr	Tyrosine	69	49	42	41	39	41	42	45	40	40
Tyramine	Tyramine										
Tyrosine methyl ester	Methyl tyrosinate										
Uracil	Uracil										
Urea	Urea	3983	3592	2759	2924	3254	2823	2824	3071	3813	3667
Uridine	Uridine	30	40	39	36	37	56	47	49	49	47
Urocanate	Urocanic acid	12			4.6000						
Val	Valine	152	123	86	98	123	118	151	120	113	116
Xanthine	Xanthine										
Xanthopterin	Xanthopterin										
Xanthosine	Xanthosine