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Analysis: GC POSITIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
1,6-anhydro-Glucose	Glucosan	ME435969	-	-	-	-
1-Monomyristin	MG 14:0	ME436024	-	-	-	-
1-Octadecene	1-Octadecene	ME435979	-	-	-	-
1-Palmitoylglycerol	MG 16:0/0:0/0:0	ME436031	-	-	-	-
1-Steroylglycerol	MG 18:0/0:0/0:0	ME436038	-	-	-	-
2-Hydroxybutyric acid	2-Hydroxybutyric acid	ME435904	-	-	-	-
2-Hydroxyglutaric acid	2-Hydroxyglutaric acid	ME435957	-	-	-	-
2-Ketoglutamic acid	-	ME435953	-	-	-	-
2-Ketoisocaproic acid	Ketoleucine	ME435913	-	-	-	-
2-Monopalmitoylglycerol	MG 0:0/16:0/0:0	ME436030	-	-	-	-
2-Steroylglycerol	-	ME436037	-	-	-	-
3-Hydroxybutyrate	3-Hydroxybutyric acid	ME435907	-	-	-	-
3-Phosphoglyceric acid	3-Phosphoglyceric acid	ME435982	-	-	-	-
4-Hydroxyproline 1	cis-4-Hydroxyproline	ME435943	-	-	-	-
4-Hydroxyproline 2	cis-4-Hydroxyproline	ME435952	-	-	-	-
Adenine	Adenine	ME435992	-	-	-	-
Adenosine	Adenosine	ME436032	-	-	-	-
Adenosine monophosphate	AMP	ME436042	-	-	-	-
Adipic acid	Adipic acid	ME435950	-	-	-	-
Allantoin	Allantoin	ME436009	-	-	-	-
alpha-D-Glucosamine 1-phosphate	Glucosamine 1-phosphate	ME435987	-	-	-	-
Arachidic acid	Arachidic acid	ME436027	-	-	-	-
Arachidonic Acid	Arachidonic acid	ME436026	-	-	-	-
Azelaic acid	Azelaic acid	ME435980	-	-	-	-
Benzoic acid	Benzoic acid	ME435916	-	-	-	-
Beta-Alanine	beta-Alanine	ME435940	-	-	-	-
Beta-Glycerophosphoric acid	sn-Glycero-2-phosphate	ME435976	-	-	-	-
Capric acid	Capric acid	ME435941	-	-	-	-
Cellobiose	Cellobiose	ME436034	-	-	-	-
Cholesterol	Cholesterol	ME436043	-	-	-	-
cis-Aconitic acid	cis-Aconitic acid	ME435973	-	-	-	-
Citric acid	Citric acid	ME435983	-	-	-	-
Creatinine	Creatinine	ME435955	-	-	-	-
Cystathionine	Cystathionine	ME436018	-	-	-	-
d4-succinate	-	ME435927	-	-	-	-
D-Fructose 1	Fructose	ME435991	-	-	-	-
D-Fructose 2	Fructose	ME435993	-	-	-	-
D-Galactose	Galactose	ME436001	-	-	-	-
D-Glucose 1	Glucose	ME435996	-	-	-	-
D-Glucose 2	Glucose	ME435998	-	-	-	-
D-Malic acid	D-Malic acid	ME435945	-	-	-	-
D-Mannose	Mannose	ME435997	-	-	-	-
D-Ribose-5-phosphate	Ribose 5-phosphate	ME436011	-	-	-	-
D-Threitol	Threitol	ME435947	-	-	-	-
Eicosane	Eicosane	ME436005	-	-	-	-
Elaidic acid	Elaidic acid	ME436019	-	-	-	-
Ergosterol	Ergosterol	ME436044	-	-	-	-
Ethanolamine 1	Ethanolamine	ME435915	-	-	-	-
Ethanolamine 2	Ethanolamine	ME435919	-	-	-	-
Fructose 1,6-diphosphate	Fructose 1,6-bisphosphate	ME436035	-	-	-	-
Fructose 6-phosphate	Fructose 6-phosphate	ME436022	-	-	-	-
Fumaric acid	Fumaric acid	ME435932	-	-	-	-
Galactonic acid	Galactonic acid	ME436006	-	-	-	-
Glucose 6-phosphate	Glucose 6-phosphate	ME436023	-	-	-	-
Glutamic acid	Glutamic acid	ME435958	-	-	-	-
Glutamine	Glutamine	ME435978	-	-	-	-
Glutathione	Glutathione	ME436014	-	-	-	-
Glyceraldehyde 3-phosphate	Glyceraldehyde 3-phosphate	ME435972	-	-	-	-
Glycerol	Glycerol	ME435922	-	-	-	-
Glycerol 3-phosphate	sn-Glycero-3-phosphate	ME435975	-	-	-	-
Glycine	Glycine	ME435926	-	-	-	-
Glycolic acid	Glycolic acid	ME435900	-	-	-	-
Glyoxylic acid	Glyoxylic acid	ME435929	-	-	-	-
Guanine	Guanine	ME436012	-	-	-	-
Heptadecanoic acid	Margaric acid	ME436013	-	-	-	-
Heptanoic acid	Heptylic acid	ME435910	-	-	-	-
Homoserine 1	Homoserine	ME435935	-	-	-	-
Homoserine 2	Homoserine	ME435967	-	-	-	-
Hypoxanthine	Hypoxanthine	ME435981	-	-	-	-
Iminodiacetic acid	-	ME435942	-	-	-	-
Inosine	Inosine	ME436029	-	-	-	-
Inosine 5-monophosphate	IMP	ME436041	-	-	-	-
Inositol phosphate	Inositol phosphate	ME436025	-	-	-	-
Isocitric acid	Isocitric acid	ME435984	-	-	-	-
Itaconic acid	Itaconic acid	ME435930	-	-	-	-
L-Alanine	Alanine	ME435902	-	-	-	-
Lanosterol	Lanosterol	ME436045	-	-	-	-
L-Ascorbic acid	Vitamin C	ME436004	-	-	-	-
L-Asparagine	Asparagine	ME435966	-	-	-	-
L-Aspartic acid 1	Aspartic acid	ME435939	-	-	-	-
L-Aspartic acid 2	Aspartic acid	ME435948	-	-	-	-
Lauric Acid	Lauric acid	ME435963	-	-	-	-
L-Glutamic acid	Glutamic acid	ME435960	-	-	-	-
L-Gulonic acid gamma-lactone	L-Gulonolactone	ME435999	-	-	-	-
Linoleic acid	Linoleic acid	ME436016	-	-	-	-
L-Isoleucine 1	Isoleucine	ME435909	-	-	-	-
L-Isoleucine 2	Isoleucine	ME435923	-	-	-	-
L-Lactic acid	Lactic acid	ME435899	-	-	-	-
L-Leucine 1	Leucine	ME435906	-	-	-	-
L-Leucine 2	Leucine	ME435921	-	-	-	-
L-Lysine	Lysine	ME436000	-	-	-	-
L-Methionine 1	Methionine	ME435938	-	-	-	-
L-Methionine 2	Methionine	ME435949	-	-	-	-
L-Phenylalanine 1	Phenylalanine	ME435954	-	-	-	-
L-Phenylalanine 2	Phenylalanine	ME435961	-	-	-	-
L-Proline 1	Proline	ME435908	-	-	-	-
L-Proline 2	Proline	ME435925	-	-	-	-
L-Serine 1	Serine	ME435918	-	-	-	-
L-Serine 2	Serine	ME435933	-	-	-	-
L-Sorbose	Sorbose	ME435995	-	-	-	-
L-Threonine 1	Threonine	ME435924	-	-	-	-
L-Threonine 2	Threonine	ME435936	-	-	-	-
L-Tyrosine 1	Tyrosine	ME435994	-	-	-	-
L-Tyrosine 2	Tyrosine	ME436003	-	-	-	-
L-Valine 1	Valine	ME435901	-	-	-	-
L-Valine 2	Valine	ME435914	-	-	-	-
Malonic acid	Malonic acid	ME435911	-	-	-	-
methyl-beta-D-Galactopyranoside	Methyl beta-D-galactoside	ME435990	-	-	-	-
Methylmalonic acid	Methylmalonic acid	ME435912	-	-	-	-
Myoinositol	Myo-inositol	ME436010	-	-	-	-
Myristic acid	Myristic acid	ME435988	-	-	-	-
Myristic Acid d27	Myristic acid	ME435986	-	-	-	-
N-acetyl-L-aspartic acid	N-Acetylaspartic acid	ME435962	-	-	-	-
N-acetyl-Lysine	N(2)-Acetyllysine	ME435989	-	-	-	-
Nicotinamide	Niacinamide	ME435944	-	-	-	-
Nitrous Oxide	-	ME435903	-	-	-	-
Nonanoic acid	Pelargonic acid	ME435934	-	-	-	-
Oleic acid	Oleic acid	ME436017	-	-	-	-
O-Phosphoethanolamine	Phosphoethanolamine	ME435977	-	-	-	-
Ornithine	Ornithine	ME435985	-	-	-	-
Orotic acid	Orotic acid	ME435974	-	-	-	-
Oxalic acid	Oxalic acid	ME435905	-	-	-	-
Palmitic acid	Palmitic acid	ME436008	-	-	-	-
Palmitoleic acid	Palmitoleic acid	ME436007	-	-	-	-
Phosphate	Phosphoric acid	ME435920	-	-	-	-
Phosphatidyl Glycerol	sn-Glycero-3-phosphoglycerol	ME436015	-	-	-	-
Phosphoenolpyruvate	Phosphoenolpyruvic acid	ME435959	-	-	-	-
Putrescine	Putrescine	ME435971	-	-	-	-
Pyroglutamic acid	Pyroglutamic acid	ME435951	-	-	-	-
Pyrophosphate	Pyrophosphate	ME435964	-	-	-	-
Pyrrolidonecarboxylic acid	Pyroglutamic acid	ME435946	-	-	-	-
Pyruvic acid	Pyruvic acid	ME435898	-	-	-	-
Ribitol	Ribitol	ME435970	-	-	-	-
Ribonic acid-gamma-lactone	Ribonolactone	ME435968	-	-	-	-
Sedoheptulose 7-phosphate	Sedoheptulose 7-phosphate	ME436028	-	-	-	-
Sophorose	Sophorose	ME436040	-	-	-	-
Sorbitol	Sorbitol	ME436002	-	-	-	-
Stearic acid	Stearic acid	ME436020	-	-	-	-
Succinic acid	Succinic acid	ME435928	-	-	-	-
Sucrose	Sucrose	ME436033	-	-	-	-
Taurine	Taurine	ME435965	-	-	-	-
Threonic acid	Threonic acid	ME435956	-	-	-	-
Thymine	Thymine	ME435937	-	-	-	-
Trehalose	Trehalose	ME436039	-	-	-	-
Turanose	Turanose	ME436036	-	-	-	-
Uracil	Uracil	ME435931	-	-	-	-
Urea	Urea	ME435917	-	-	-	-
Xanthurenic acid	Xanthurenic acid	ME436021	-	-	-	-

Analysis: GC POSITIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
1-Palmitoylglycerol	MG 16:0/0:0/0:0	ME436179	-	-	-	-
1-Steroylglycerol	MG 18:0/0:0/0:0	ME436183	-	-	-	-
2'3'-Bisphosphoglycerate	-	ME436159	-	-	-	-
2-Aminoadipic acid	alpha-Aminoadipic acid	ME436117	-	-	-	-
2-Hydroxybenzoic acid	Salicylic acid	ME436095	-	-	-	-
2-Hydroxybutyric acid	2-Hydroxybutyric acid	ME436052	-	-	-	-
2-Hydroxyglutaric acid	2-Hydroxyglutaric acid	ME436105	-	-	-	-
2-Ketoglutarate	2-Oxoglutaric acid	ME436106	-	-	-	-
2-Monopalmitoylglycerol	MG 0:0/16:0/0:0	ME436180	-	-	-	-
2-Steroylglycerol	-	ME436182	-	-	-	-
3-Hydroxybutyrate	3-Hydroxybutyric acid	ME436057	-	-	-	-
3-Phosphoglyceric acid	3-Phosphoglyceric acid	ME436126	-	-	-	-
4-Hydroxyproline 1	cis-4-Hydroxyproline	ME436090	-	-	-	-
4-Hydroxyproline 2	cis-4-Hydroxyproline	ME436096	-	-	-	-
5-Hydroxytryptophan	5-Hydroxy-tryptophan	ME436173	-	-	-	-
Adenine	Adenine	ME436134	-	-	-	-
Adenosine	Adenosine	ME436181	-	-	-	-
Adenosine 3'-monophosphate	3'-AMP	ME436187	-	-	-	-
Adenosine 5'-monophosphate	AMP	ME436186	-	-	-	-
Adipic acid	Adipic acid	ME436093	-	-	-	-
Allantoin	Allantoin	ME436154	-	-	-	-
Arachidic acid	Arachidic acid	ME436175	-	-	-	-
Arachidonic acid	Arachidonic acid	ME436171	-	-	-	-
Ascorbic acid	Vitamin C	ME436147	-	-	-	-
Benzoic acid	Benzoic acid	ME436064	-	-	-	-
Beta-Alanine	beta-Alanine	ME436086	-	-	-	-
Beta-Amino Isobutyric acid	beta-Aminoisobutyric acid	ME436088	-	-	-	-
Beta-Lactate	-	ME436055	-	-	-	-
Beta-Sitosterol	Sitosterol	ME436194	-	-	-	-
C20:3 A	CAR 20:3	ME436192	-	-	-	-
C20:3 B	CAR 20:3	ME436193	-	-	-	-
Campesterol	Campesterol	ME436191	-	-	-	-
Capric acid	Capric acid	ME436087	-	-	-	-
Cholesterol	Cholesterol	ME436188	-	-	-	-
cis-Aconitic acid	cis-Aconitic acid	ME436121	-	-	-	-
Citric acid	Citric acid	ME436129	-	-	-	-
Creatinine	Creatinine	ME436103	-	-	-	-
Cystathionine	Cystathionine	ME436161	-	-	-	-
d4-succinate	-	ME436074	-	-	-	-
Dehydroascorbic acid	L-Dehydroascorbic acid	ME436140	-	-	-	-
D-Fructose 1	Fructose	ME436135	-	-	-	-
D-Fructose 2	Fructose	ME436136	-	-	-	-
D-Glucose 1	Glucose	ME436139	-	-	-	-
D-Glucose 2	Glucose	ME436142	-	-	-	-
DHAP	Dihydroxyacetone phosphate	ME436120	-	-	-	-
Diethyl Phthalate	Diethyl phthalate	ME436109	-	-	-	-
Disaccharide 1	-	ME436184	-	-	-	-
Disaccharide 2	-	ME436185	-	-	-	-
D-Malic acid	D-Malic acid	ME436091	-	-	-	-
D-Mannose	Mannose	ME436137	-	-	-	-
D-Threitol	Threitol	ME436094	-	-	-	-
Elaidic acid	Elaidic acid	ME436165	-	-	-	-
Ergosterol	Ergosterol	ME436190	-	-	-	-
Ethanolamine 1	Ethanolamine	ME436062	-	-	-	-
Ethanolamine 2	Ethanolamine	ME436066	-	-	-	-
Fructose-6-phosphate	Fructose 6-phosphate	ME436168	-	-	-	-
Fumaric acid	Fumaric acid	ME436078	-	-	-	-
GABA	gamma-Aminobutyric acid	ME436101	-	-	-	-
Galactosamine	Galactosamine	ME436141	-	-	-	-
Gluconic acid	Gluconic acid	ME436148	-	-	-	-
Glucose 6-phosphate	Glucose 6-phosphate	ME436169	-	-	-	-
Glutamic acid	Glutamic acid	ME436100	-	-	-	-
Glutamine	Glutamine	ME436123	-	-	-	-
Glycerol	Glycerol	ME436069	-	-	-	-
Glycerol 3-phosphate	sn-Glycero-3-phosphate	ME436122	-	-	-	-
Glycine	Glycine	ME436073	-	-	-	-
Glycolic acid	Glycolic acid	ME436048	-	-	-	-
Glyoxylic acid	Glyoxylic acid	ME436077	-	-	-	-
Heptadecanoic acid	Margaric acid	ME436157	-	-	-	-
Hypotaurine	Hypotaurine	ME436108	-	-	-	-
Hypoxanthine	Hypoxanthine	ME436127	-	-	-	-
Inosine	Inosine	ME436178	-	-	-	-
Inositol phosphate	Inositol phosphate	ME436172	-	-	-	-
Isocitric acid	Isocitric acid	ME436128	-	-	-	-
L-Alanine 1	Alanine	ME436050	-	-	-	-
L-Alanine 2	Alanine	ME436081	-	-	-	-
Lanthionine	Lanthionine	ME436153	-	-	-	-
L-Asparagine	Asparagine	ME436115	-	-	-	-
L-Aspartic acid 1	Aspartic acid	ME436085	-	-	-	-
L-Aspartic acid 2	Aspartic acid	ME436097	-	-	-	-
Lauric Acid	Lauric acid	ME436112	-	-	-	-
L-Glutamic acid	Glutamic acid	ME436110	-	-	-	-
Linoleic acid	Linoleic acid	ME436162	-	-	-	-
L-Isoleucine 1	Isoleucine	ME436058	-	-	-	-
L-Isoleucine 2	Isoleucine	ME436070	-	-	-	-
L-Kynurenine	Kynurenine	ME436158	-	-	-	-
L-Lactic acid	Lactic acid	ME436047	-	-	-	-
L-Leucine 1	Leucine	ME436056	-	-	-	-
L-Leucine 2	Leucine	ME436068	-	-	-	-
L-Lysine 1	Lysine	ME436133	-	-	-	-
L-Lysine 2	Lysine	ME436143	-	-	-	-
L-Methionine 1	Methionine	ME436084	-	-	-	-
L-Methionine 2	Methionine	ME436098	-	-	-	-
L-Phenylalanine 1	Phenylalanine	ME436102	-	-	-	-
L-Phenylalanine 2	Phenylalanine	ME436111	-	-	-	-
L-Proline 1	Proline	ME436059	-	-	-	-
L-Proline 2	Proline	ME436072	-	-	-	-
L-Serine 1	Serine	ME436065	-	-	-	-
L-Serine 2	Serine	ME436079	-	-	-	-
L-Threonine 1	Threonine	ME436071	-	-	-	-
L-Threonine 2	Threonine	ME436082	-	-	-	-
L-Tryptophan	Tryptophan	ME436163	-	-	-	-
L-Tyrosine 1	Tyrosine	ME436138	-	-	-	-
L-Tyrosine 2	Tyrosine	ME436146	-	-	-	-
L-Valine	Valine	ME436061	-	-	-	-
L-Valine 1	Valine	ME436049	-	-	-	-
Malonic acid	Malonic acid	ME436060	-	-	-	-
Mannitol	Mannitol	ME436145	-	-	-	-
myo-Inositol	Myo-inositol	ME436155	-	-	-	-
Myristic acid	Myristic acid	ME436132	-	-	-	-
Myristic Acid d27	Myristic acid	ME436131	-	-	-	-
N-acetyl-L-aspartic acid	N-Acetylaspartic acid	ME436113	-	-	-	-
Nicotinamide	Niacinamide	ME436089	-	-	-	-
Nitrous Oxide	-	ME436051	-	-	-	-
Nonanoic acid	Pelargonic acid	ME436080	-	-	-	-
Oleic acid	Oleic acid	ME436164	-	-	-	-
O-Phosphoethanolamine	Phosphoethanolamine	ME436124	-	-	-	-
Ornithine	Ornithine	ME436130	-	-	-	-
Oxalic acid	Oxalic acid	ME436053	-	-	-	-
Palmitic acid	Palmitic acid	ME436152	-	-	-	-
Palmitoleic acid	Palmitoleic acid	ME436151	-	-	-	-
Pantothenic acid	Pantothenic acid	ME436149	-	-	-	-
Phosphate	Phosphoric acid	ME436067	-	-	-	-
Phosphoenolpyruvate	Phosphoenolpyruvic acid	ME436107	-	-	-	-
Putrescine	Putrescine	ME436119	-	-	-	-
Pyroglutamic acid	Pyroglutamic acid	ME436099	-	-	-	-
Pyrophosphate	Pyrophosphate	ME436114	-	-	-	-
Pyrrolidonecarboxylic acid	Pyroglutamic acid	ME436092	-	-	-	-
Pyruvic acid	Pyruvic acid	ME436046	-	-	-	-
Ribitol	Ribitol	ME436118	-	-	-	-
Sarcosine	Sarcosine	ME436054	-	-	-	-
Sedoheptulose 7-phosphate	Sedoheptulose 7-phosphate	ME436177	-	-	-	-
Serotonin	Serotonin	ME436176	-	-	-	-
Sorbitol	Sorbitol	ME436144	-	-	-	-
Spermidine	Spermidine	ME436160	-	-	-	-
Stearic acid	Stearic acid	ME436166	-	-	-	-
Succinic acid	Succinic acid	ME436075	-	-	-	-
Succinylacetone	Succinylacetone	ME436125	-	-	-	-
Sugar Alcohol-phosphate	-	ME436170	-	-	-	-
Taurine	Taurine	ME436116	-	-	-	-
Threonic acid	Threonic acid	ME436104	-	-	-	-
Thymine	Thymine	ME436083	-	-	-	-
Uracil	Uracil	ME436076	-	-	-	-
Urea	Urea	ME436063	-	-	-	-
Uric acid	Uric acid	ME436156	-	-	-	-
Uridine	Uridine	ME436174	-	-	-	-
Xanthine	Xanthine	ME436150	-	-	-	-
Xanthurenic acid	Xanthurenic acid	ME436167	-	-	-	-
Zymosterol	Zymosterol	ME436189	-	-	-	-

Analysis: GC POSITIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
2-aminobutyrate m0	2-Aminobutyric acid	ME436246	-	-	-	-
2-aminobutyrate m1	2-Aminobutyric acid	ME436247	-	-	-	-
2-aminobutyrate m2	2-Aminobutyric acid	ME436248	-	-	-	-
2-aminobutyrate m3	2-Aminobutyric acid	ME436249	-	-	-	-
2-aminobutyrate m4	2-Aminobutyric acid	ME436250	-	-	-	-
2-hydroxyglutaric acid m0	2-Hydroxyglutaric acid	ME436281	-	-	-	-
2-hydroxyglutaric acid m1	2-Hydroxyglutaric acid	ME436282	-	-	-	-
2-hydroxyglutaric acid m2	2-Hydroxyglutaric acid	ME436283	-	-	-	-
2-hydroxyglutaric acid m3	2-Hydroxyglutaric acid	ME436284	-	-	-	-
2-hydroxyglutaric acid m4	2-Hydroxyglutaric acid	ME436285	-	-	-	-
2-hydroxyglutaric acid m5	2-Hydroxyglutaric acid	ME436286	-	-	-	-
2-ketoglutamic acid m0	-	ME436287	-	-	-	-
2-ketoglutamic acid m1	-	ME436288	-	-	-	-
2-ketoglutamic acid m2	-	ME436289	-	-	-	-
2-ketoglutamic acid m3	-	ME436290	-	-	-	-
2-ketoglutamic acid m4	-	ME436291	-	-	-	-
2-ketoglutamic acid m5	-	ME436292	-	-	-	-
3-hydroxybutyrate m0	3-Hydroxybutyric acid	ME436214	-	-	-	-
3-hydroxybutyrate m1	3-Hydroxybutyric acid	ME436215	-	-	-	-
3-hydroxybutyrate m2	3-Hydroxybutyric acid	ME436216	-	-	-	-
3-hydroxybutyrate m3	3-Hydroxybutyric acid	ME436217	-	-	-	-
3-hydroxybutyrate m4	3-Hydroxybutyric acid	ME436218	-	-	-	-
alanine m0	Alanine	ME436203	-	-	-	-
alanine m1	Alanine	ME436204	-	-	-	-
alanine m2	Alanine	ME436205	-	-	-	-
alanine m3	Alanine	ME436206	-	-	-	-
asparagine m0	Asparagine	ME436315	-	-	-	-
asparagine m1	Asparagine	ME436316	-	-	-	-
asparagine m2	Asparagine	ME436317	-	-	-	-
asparagine m3	Asparagine	ME436318	-	-	-	-
asparagine m4	Asparagine	ME436319	-	-	-	-
aspartate m0	Aspartic acid	ME436270	-	-	-	-
aspartate m1	Aspartic acid	ME436271	-	-	-	-
aspartate m2	Aspartic acid	ME436272	-	-	-	-
aspartate m3	Aspartic acid	ME436273	-	-	-	-
aspartate m4	Aspartic acid	ME436274	-	-	-	-
citrate m0	Citric acid	ME436326	-	-	-	-
citrate m1	Citric acid	ME436327	-	-	-	-
citrate m2	Citric acid	ME436328	-	-	-	-
citrate m3	Citric acid	ME436329	-	-	-	-
citrate m4	Citric acid	ME436330	-	-	-	-
citrate m5	Citric acid	ME436331	-	-	-	-
citrate m6	Citric acid	ME436332	-	-	-	-
fumarate m0	Fumaric acid	ME436251	-	-	-	-
fumarate m1	Fumaric acid	ME436252	-	-	-	-
fumarate m2	Fumaric acid	ME436253	-	-	-	-
fumarate m3	Fumaric acid	ME436254	-	-	-	-
fumarate m4	Fumaric acid	ME436255	-	-	-	-
glucose m0	Glucose	ME436338	-	-	-	-
glucose m1	Glucose	ME436339	-	-	-	-
glucose m2	Glucose	ME436340	-	-	-	-
glucose m3	Glucose	ME436341	-	-	-	-
glucose m4	Glucose	ME436342	-	-	-	-
glutamic acid m0	Glutamic acid	ME436299	-	-	-	-
glutamic acid m1	Glutamic acid	ME436300	-	-	-	-
glutamic acid m2	Glutamic acid	ME436301	-	-	-	-
glutamic acid m3	Glutamic acid	ME436302	-	-	-	-
glutamic acid m4	Glutamic acid	ME436303	-	-	-	-
glutamic acid m5	Glutamic acid	ME436304	-	-	-	-
glutamine m0	Glutamine	ME436320	-	-	-	-
glutamine m1	Glutamine	ME436321	-	-	-	-
glutamine m2	Glutamine	ME436322	-	-	-	-
glutamine m3	Glutamine	ME436323	-	-	-	-
glutamine m4	Glutamine	ME436324	-	-	-	-
glutamine m5	Glutamine	ME436325	-	-	-	-
glycine m0	Glycine	ME436238	-	-	-	-
glycine m1	Glycine	ME436239	-	-	-	-
glycine m2	Glycine	ME436240	-	-	-	-
isoleucine m0	Isoleucine	ME436225	-	-	-	-
isoleucine m1	Isoleucine	ME436226	-	-	-	-
isoleucine m2	Isoleucine	ME436227	-	-	-	-
isoleucine m3	Isoleucine	ME436228	-	-	-	-
isoleucine m4	Isoleucine	ME436229	-	-	-	-
isoleucine m5	Isoleucine	ME436230	-	-	-	-
isoleucine m6	Isoleucine	ME436231	-	-	-	-
lactic acid m0	Lactic acid	ME436199	-	-	-	-
lactic acid m1	Lactic acid	ME436200	-	-	-	-
lactic acid m2	Lactic acid	ME436201	-	-	-	-
lactic acid m3	Lactic acid	ME436202	-	-	-	-
leucine m0	Leucine	ME436207	-	-	-	-
leucine m1	Leucine	ME436208	-	-	-	-
leucine m2	Leucine	ME436209	-	-	-	-
leucine m3	Leucine	ME436210	-	-	-	-
leucine m4	Leucine	ME436211	-	-	-	-
leucine m5	Leucine	ME436212	-	-	-	-
leucine m6	Leucine	ME436213	-	-	-	-
lysine m0	Lysine	ME436343	-	-	-	-
lysine m1	Lysine	ME436344	-	-	-	-
lysine m2	Lysine	ME436345	-	-	-	-
lysine m3	Lysine	ME436346	-	-	-	-
lysine m4	Lysine	ME436347	-	-	-	-
lysine m5	Lysine	ME436348	-	-	-	-
lysine m6	Lysine	ME436349	-	-	-	-
malate m0	Malic acid	ME436265	-	-	-	-
malate m1	Malic acid	ME436266	-	-	-	-
malate m2	Malic acid	ME436267	-	-	-	-
malate m3	Malic acid	ME436268	-	-	-	-
malate m4	Malic acid	ME436269	-	-	-	-
myristate m0	Myristic acid	ME436333	-	-	-	-
myristate m1	Myristic acid	ME436334	-	-	-	-
myristate m2	Myristic acid	ME436335	-	-	-	-
myristate m3	Myristic acid	ME436336	-	-	-	-
myristate m4	Myristic acid	ME436337	-	-	-	-
ornithine m0	Ornithine	ME436293	-	-	-	-
ornithine m1	Ornithine	ME436294	-	-	-	-
ornithine m2	Ornithine	ME436295	-	-	-	-
ornithine m3	Ornithine	ME436296	-	-	-	-
ornithine m4	Ornithine	ME436297	-	-	-	-
ornithine m5	Ornithine	ME436298	-	-	-	-
palmitate m0	Palmitic acid	ME436365	-	-	-	-
palmitate m1	Palmitic acid	ME436366	-	-	-	-
palmitate m2	Palmitic acid	ME436367	-	-	-	-
palmitate m3	Palmitic acid	ME436368	-	-	-	-
palmitate m4	Palmitic acid	ME436369	-	-	-	-
phenylalanine m0	Phenylalanine	ME436305	-	-	-	-
phenylalanine m1	Phenylalanine	ME436306	-	-	-	-
phenylalanine m2	Phenylalanine	ME436307	-	-	-	-
phenylalanine m3	Phenylalanine	ME436308	-	-	-	-
phenylalanine m4	Phenylalanine	ME436309	-	-	-	-
phenylalanine m5	Phenylalanine	ME436310	-	-	-	-
phenylalanine m6	Phenylalanine	ME436311	-	-	-	-
phenylalanine m7	Phenylalanine	ME436312	-	-	-	-
phenylalanine m8	Phenylalanine	ME436313	-	-	-	-
phenylalanine m9	Phenylalanine	ME436314	-	-	-	-
proline m0	Proline	ME436232	-	-	-	-
proline m1	Proline	ME436233	-	-	-	-
proline m2	Proline	ME436234	-	-	-	-
proline m3	Proline	ME436235	-	-	-	-
proline m4	Proline	ME436236	-	-	-	-
proline m5	Proline	ME436237	-	-	-	-
pyroglutamate m0	Pyroglutamic acid	ME436275	-	-	-	-
pyroglutamate m1	Pyroglutamic acid	ME436276	-	-	-	-
pyroglutamate m2	Pyroglutamic acid	ME436277	-	-	-	-
pyroglutamate m3	Pyroglutamic acid	ME436278	-	-	-	-
pyroglutamate m4	Pyroglutamic acid	ME436279	-	-	-	-
pyroglutamate m5	Pyroglutamic acid	ME436280	-	-	-	-
pyruvate m0	Pyruvic acid	ME436195	-	-	-	-
pyruvate m1	Pyruvic acid	ME436196	-	-	-	-
pyruvate m2	Pyruvic acid	ME436197	-	-	-	-
pyruvate m3	Pyruvic acid	ME436198	-	-	-	-
serine m0	Serine	ME436256	-	-	-	-
serine m1	Serine	ME436257	-	-	-	-
serine m2	Serine	ME436258	-	-	-	-
serine m3	Serine	ME436259	-	-	-	-
sorbitol m0	Sorbitol	ME436350	-	-	-	-
sorbitol m1	Sorbitol	ME436351	-	-	-	-
sorbitol m2	Sorbitol	ME436352	-	-	-	-
sorbitol m3	Sorbitol	ME436353	-	-	-	-
sorbitol m4	Sorbitol	ME436354	-	-	-	-
stearate m0	Stearic acid	ME436370	-	-	-	-
stearate m1	Stearic acid	ME436371	-	-	-	-
stearate m2	Stearic acid	ME436374	-	-	-	-
stearate m3	Stearic acid	ME436372	-	-	-	-
stearate m4	Stearic acid	ME436373	-	-	-	-
succinate m0	Succinic acid	ME436241	-	-	-	-
succinate m1	Succinic acid	ME436242	-	-	-	-
succinate m2	Succinic acid	ME436243	-	-	-	-
succinate m3	Succinic acid	ME436244	-	-	-	-
succinate m4	Succinic acid	ME436245	-	-	-	-
threonine m0	Threonine	ME436260	-	-	-	-
threonine m1	Threonine	ME436261	-	-	-	-
threonine m2	Threonine	ME436262	-	-	-	-
threonine m3	Threonine	ME436263	-	-	-	-
threonine m4	Threonine	ME436264	-	-	-	-
tyrosine m0	Tyrosine	ME436355	-	-	-	-
tyrosine m1	Tyrosine	ME436356	-	-	-	-
tyrosine m2	Tyrosine	ME436357	-	-	-	-
tyrosine m3	Tyrosine	ME436358	-	-	-	-
tyrosine m4	Tyrosine	ME436359	-	-	-	-
tyrosine m5	Tyrosine	ME436360	-	-	-	-
tyrosine m6	Tyrosine	ME436361	-	-	-	-
tyrosine m7	Tyrosine	ME436362	-	-	-	-
tyrosine m8	Tyrosine	ME436363	-	-	-	-
tyrosine m9	Tyrosine	ME436364	-	-	-	-
valine m0	Valine	ME436219	-	-	-	-
valine m1	Valine	ME436220	-	-	-	-
valine m2	Valine	ME436221	-	-	-	-
valine m3	Valine	ME436222	-	-	-	-
valine m4	Valine	ME436223	-	-	-	-
valine m5	Valine	ME436224	-	-	-	-

Analysis: GC POSITIVE ION MODE

Metabolite Name	RefMet Name/Standardized Name*	WorkBench Metabolite_ID	PubChem Compound_ID	Kegg Id	Retention time/index	m/z ratio
1,6-anhydro-glucose	Glucosan	ME436514	-	-	-	-
1-monomyristin	MG 14:0	ME436465	-	-	-	-
1-octadecene	1-Octadecene	ME436515	-	-	-	-
1-Palmitoylglycerol	MG 16:0/0:0/0:0	ME436467	-	-	-	-
1-Steroylglycerol	MG 18:0/0:0/0:0	ME436469	-	-	-	-
2'3'-Bisphosphoglycerate	-	ME436516	-	-	-	-
2-Hydroxybenzoic acid	Salicylic acid	ME436517	-	-	-	-
2-Hydroxybutyric acid 2	2-Hydroxybutyric acid	ME436502	-	-	-	-
2-Hydroxyglutaric acid 1	2-Hydroxyglutaric acid	ME436501	-	-	-	-
2-ketoglutarate	2-Oxoglutaric acid	ME436387	-	-	-	-
2-Ketoisocaproic acid	Ketoleucine	ME436518	-	-	-	-
2-monopalmitoylglycerol	MG 0:0/16:0/0:0	ME436466	-	-	-	-
2-Steroylglycerol	-	ME436468	-	-	-	-
3-hydroxybutyric acid	3-Hydroxybutyric acid	ME436503	-	-	-	-
3-Phosphoglyceric acid	3-Phosphoglyceric acid	ME436380	-	-	-	-
4-Hydroxyproline 1	cis-4-Hydroxyproline	ME436427	-	-	-	-
4-Hydroxyproline 2	cis-4-Hydroxyproline	ME436428	-	-	-	-
5-hydroxytryptophan	5-Hydroxy-tryptophan	ME436499	-	-	-	-
Adenine	Adenine	ME436485	-	-	-	-
Adenosine	Adenosine	ME436483	-	-	-	-
Adenosine monophosphate	AMP	ME436487	-	-	-	-
Adipic acid	Adipic acid	ME436519	-	-	-	-
Allantoin	Allantoin	ME436496	-	-	-	-
alpha-D-glucosamine 1-phosphate	Glucosamine 1-phosphate	ME436443	-	-	-	-
Aminoadipic acid	Aminoadipic acid	ME436425	-	-	-	-
Arachidic acid	Arachidic acid	ME436460	-	-	-	-
Arachidonic Acid	Arachidonic acid	ME436461	-	-	-	-
azelaic acid	Azelaic acid	ME436520	-	-	-	-
Benzoic acid	Benzoic acid	ME436521	-	-	-	-
Benzoquinone	Quinone	ME436507	-	-	-	-
Beta-Alanine	beta-Alanine	ME436422	-	-	-	-
Beta-Glycerophosphoric acid	sn-Glycero-2-phosphate	ME436474	-	-	-	-
Beta-lactate	-	ME436522	-	-	-	-
Beta-Sitosterol	Sitosterol	ME436523	-	-	-	-
Capric acid	Capric acid	ME436452	-	-	-	-
Cellobiose	Cellobiose	ME436445	-	-	-	-
Cholesterol	Cholesterol	ME436470	-	-	-	-
cis-Aconitic acid	cis-Aconitic acid	ME436385	-	-	-	-
Citric acid	Citric acid	ME436384	-	-	-	-
Creatinine	Creatinine	ME436492	-	-	-	-
Cystathionine	Cystathionine	ME436524	-	-	-	-
d4-succinate	-	ME436512	-	-	-	-
Dehydroascorbic acid	L-Dehydroascorbic acid	ME436495	-	-	-	-
delta Amino Levulinic acid	5-Amino-levulinic acid	ME436525	-	-	-	-
D-Fructose 1	Fructose	ME436432	-	-	-	-
D-Fructose 2	Fructose	ME436433	-	-	-	-
D-Galactose	Galactose	ME436436	-	-	-	-
D-glucose 1	Glucose	ME436375	-	-	-	-
D-glucose 2	Glucose	ME436376	-	-	-	-
DHAP	Dihydroxyacetone phosphate	ME436379	-	-	-	-
Diethyl Phthalate	Diethyl phthalate	ME436526	-	-	-	-
Diglycerol	Diglycerol	ME436471	-	-	-	-
DL-3-Aminoisobutyric acid	3-Aminoisobutanoic acid	ME436527	-	-	-	-
D-Malic acid	D-Malic acid	ME436390	-	-	-	-
D-Mannose 1	Mannose	ME436434	-	-	-	-
D-Mannose 2	Mannose	ME436435	-	-	-	-
D-ribose-5-phosphate	Ribose 5-phosphate	ME436391	-	-	-	-
D-threitol	Threitol	ME436449	-	-	-	-
Eicosane	Eicosane	ME436528	-	-	-	-
Elaidic acid	Elaidic acid	ME436458	-	-	-	-
Ergosterol	Ergosterol	ME436529	-	-	-	-
ethanolamine	Ethanolamine	ME436476	-	-	-	-
Ethanolamine	Ethanolamine	ME436530	-	-	-	-
Fructose-6-phosphate	Fructose 6-phosphate	ME436378	-	-	-	-
Fumaric acid	Fumaric acid	ME436389	-	-	-	-
GABA	gamma-Aminobutyric acid	ME436531	-	-	-	-
Galactitol	Galactitol	ME436438	-	-	-	-
Galactonic acid	Galactonic acid	ME436444	-	-	-	-
Gluconic acid	Gluconic acid	ME436448	-	-	-	-
Glucose 6-phosphate	Glucose 6-phosphate	ME436377	-	-	-	-
Glutamine	Glutamine	ME436414	-	-	-	-
Glutaric acid	Glutaric acid	ME436532	-	-	-	-
Glutathione	Glutathione	ME436493	-	-	-	-
Glycerol	Glycerol	ME436472	-	-	-	-
glycerol 3-phosphate	sn-Glycero-3-phosphate	ME436473	-	-	-	-
Glycine	Glycine	ME436392	-	-	-	-
Glycolic acid	Glycolic acid	ME436504	-	-	-	-
Glyoxylic acid	Glyoxylic acid	ME436533	-	-	-	-
Guanine	Guanine	ME436534	-	-	-	-
Heptadecanoic acid	Margaric acid	ME436464	-	-	-	-
hexadecene	-	ME436535	-	-	-	-
Histamine	Histamine	ME436536	-	-	-	-
Hypotaurine	Hypotaurine	ME436506	-	-	-	-
Hypoxanthine	Hypoxanthine	ME436482	-	-	-	-
Iminodiacetic acid	-	ME436426	-	-	-	-
Inosine	Inosine	ME436484	-	-	-	-
Inosine 5'-monophosphate	IMP	ME436488	-	-	-	-
Inositol phosphate	Inositol phosphate	ME436441	-	-	-	-
Isocitric acid	Isocitric acid	ME436386	-	-	-	-
Isoxanthopterin	Isoxanthopterin	ME436537	-	-	-	-
Kynurenic acid	Kynurenic acid	ME436511	-	-	-	-
L-Alanine 1	Alanine	ME436393	-	-	-	-
L-Alanine 2	Alanine	ME436394	-	-	-	-
lanthionine	Lanthionine	ME436538	-	-	-	-
L-Ascorbic acid	Vitamin C	ME436494	-	-	-	-
L-Asparagine	Asparagine	ME436413	-	-	-	-
L-Aspartic acid 1	Aspartic acid	ME436415	-	-	-	-
L-Aspartic acid 2	Aspartic acid	ME436416	-	-	-	-
Lauric Acid	Lauric acid	ME436539	-	-	-	-
L-Dopa	DOPA	ME436500	-	-	-	-
L-Glutamic acid	Glutamic acid	ME436417	-	-	-	-
L-gulonic acid gamma-lactone	L-Gulonolactone	ME436540	-	-	-	-
Linoleic acid	Linoleic acid	ME436456	-	-	-	-
L-Isoleucine 1	Isoleucine	ME436399	-	-	-	-
L-Isoleucine 2	Isoleucine	ME436400	-	-	-	-
L-Kynurenine	Kynurenine	ME436510	-	-	-	-
L-Lactic acid	Lactic acid	ME436383	-	-	-	-
L-Leucine 1	Leucine	ME436397	-	-	-	-
L-Leucine 2	Leucine	ME436398	-	-	-	-
L-Lysine 1	Lysine	ME436418	-	-	-	-
L-Lysine 2	Lysine	ME436419	-	-	-	-
L-Methionine 1	Methionine	ME436411	-	-	-	-
L-Methionine 2	Methionine	ME436412	-	-	-	-
L-Phenylalanine 1	Phenylalanine	ME436403	-	-	-	-
L-Phenylalanine 2	Phenylalanine	ME436404	-	-	-	-
L-Proline 1	Proline	ME436401	-	-	-	-
L-Proline 2	Proline	ME436402	-	-	-	-
L-Serine 1	Serine	ME436408	-	-	-	-
L-Serine 2	Serine	ME436409	-	-	-	-
L-Sorbose	Sorbose	ME436447	-	-	-	-
L-threonine	Threonine	ME436424	-	-	-	-
L-Threonine	Threonine	ME436410	-	-	-	-
L-Tryptophan	Tryptophan	ME436407	-	-	-	-
L-Tyrosine 1	Tyrosine	ME436405	-	-	-	-
L-Tyrosine 2	Tyrosine	ME436406	-	-	-	-
L-Valine 1	Valine	ME436395	-	-	-	-
L-Valine 2	Valine	ME436396	-	-	-	-
Malonic acid	Malonic acid	ME436462	-	-	-	-
methyl-beta-D-galactopyranoside	Methyl beta-D-galactoside	ME436541	-	-	-	-
Myoinositol	Myo-inositol	ME436440	-	-	-	-
Myristic acid	Myristic acid	ME436453	-	-	-	-
Myristic Acid d27	Myristic acid	ME436513	-	-	-	-
N-acetyl-L-aspartic acid 1	N-Acetylaspartic acid	ME436429	-	-	-	-
N-acetyl-L-aspartic acid 2	N-Acetylaspartic acid	ME436542	-	-	-	-
Nicotinamide	Niacinamide	ME436543	-	-	-	-
Nitrous Oxide	-	ME436544	-	-	-	-
N-methylalanine	N-Methylalanine	ME436430	-	-	-	-
nonanoic acid	Pelargonic acid	ME436451	-	-	-	-
Oleic acid	Oleic acid	ME436457	-	-	-	-
O-Phosphoethanolamine	Phosphoethanolamine	ME436475	-	-	-	-
Ornithine	Ornithine	ME436421	-	-	-	-
Oxalic acid	Oxalic acid	ME436463	-	-	-	-
Palmitic acid	Palmitic acid	ME436455	-	-	-	-
Palmitoleic acid	Palmitoleic acid	ME436454	-	-	-	-
Pantothenic acid	Pantothenic acid	ME436423	-	-	-	-
Pectin	-	ME436446	-	-	-	-
Phosphate	Phosphoric acid	ME436477	-	-	-	-
Phosphatidyl Glycerol	sn-Glycero-3-phosphoglycerol	ME436545	-	-	-	-
Phosphoenolpyruvate	Phosphoenolpyruvic acid	ME436381	-	-	-	-
picolonic acid	-	ME436546	-	-	-	-
Putrescine	Putrescine	ME436508	-	-	-	-
Pyroglutamic acid	Pyroglutamic acid	ME436420	-	-	-	-
Pyrophosphate	Pyrophosphate	ME436478	-	-	-	-
Pyrrolidonecarboxylic acid	Pyroglutamic acid	ME436547	-	-	-	-
Pyruvic acid	Pyruvic acid	ME436382	-	-	-	-
Ribitol	Ribitol	ME436439	-	-	-	-
ribonic acid-gamma-lactone	Ribonolactone	ME436548	-	-	-	-
Sarcosine	Sarcosine	ME436549	-	-	-	-
Sedoheptulose 7-phosphate	Sedoheptulose 7-phosphate	ME436442	-	-	-	-
Serotonin 1	Serotonin	ME436497	-	-	-	-
Serotonin 2	Serotonin	ME436498	-	-	-	-
sophorose	Sophorose	ME436550	-	-	-	-
Sorbitol	Sorbitol	ME436437	-	-	-	-
Spermidine	Spermidine	ME436431	-	-	-	-
Stearic acid	Stearic acid	ME436459	-	-	-	-
Succinic acid	Succinic acid	ME436388	-	-	-	-
Tartaric Acid	Tartaric acid	ME436551	-	-	-	-
Taurine	Taurine	ME436505	-	-	-	-
threonic acid	Threonic acid	ME436450	-	-	-	-
threose	Threose	ME436552	-	-	-	-
Thymine	Thymine	ME436486	-	-	-	-
turanose	Turanose	ME436553	-	-	-	-
Uracil	Uracil	ME436554	-	-	-	-
Urea	Urea	ME436491	-	-	-	-
Uric acid 1	Uric acid	ME436479	-	-	-	-
Uric acid 2	Uric acid	ME436480	-	-	-	-
uridine	Uridine	ME436490	-	-	-	-
Uridine 5'-monophosphate	UMP	ME436489	-	-	-	-
Xanthine	Xanthine	ME436481	-	-	-	-
Xanthurenic acid	Xanthurenic acid	ME436509	-	-	-	-
xylose	Xylose	ME436555	-	-	-	-