Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST004294

(Analysis AN007139): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structure	F1	F2
(10E,12Z)-9-oxooctadeca-10,12-dienoic acid	8356760.32	-
1,3-diazaspiro[4.5]decane-2,4-dione	2233708072.83	-
13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid	-	11664504.03
1-hydroxy-3-isopropyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyraz...	404216825.13	-
1-hydroxy-3-isopropyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyraz...	403150227.43	-
1-hydroxy-3-isopropyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyraz...	210428989.27	-
1-Nitrosopiperidine (NPIP)	148726345.53	-
2,2-dimethyl-1,2-dihydroquinazolin-4-ol	139140409.35	-
2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic acid	185284627.60	-
2,4-Dimethylbenzaldehyde_1	37211069.48	-
2,4-Dimethylbenzaldehyde_2	7642698.03	-
2-(4-methylphenyl)imidazo[1,2-a]pyrimidine	-	6281952.01
2,5-Dimethylpyrazine	-	151054205.78
2,6-Dimethylpyrazine_1	294377944.43	-
2,6-Dimethylpyrazine_2	113529360.69	-
2-Amino-1,3,4-octadecanetriol	67003879.37	-
2-Amino-4-methylpyrimidine_1	1186903256.67	-
2-Amino-4-methylpyrimidine_2	257195762.57	-
2-Amino-4-methylpyrimidine_3	261918696.73	-
2-Amino-4-methylpyrimidine_4	248492165.73	-
2-Amino-4-methylpyrimidine_5	131394133.62	-
2-Hydroxyphenylalanine	230410935.07	-
2-Naphthylamine_1	35946668432.67	-
2-Naphthylamine_2	6651707456.00	-
2-Naphthylamine_3	210206516.25	-
3-(1H-indol-3-yl)quinoxalin-2-ol	-	244935582.68
3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyraz...	1382796083.17	-
3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyraz...	333358734.00	-
3-(1-hydroxyethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyraz...	113520141.42	-
3-(2-(Phenylamino)oxazol-5-yl)benzonitrile	181241922.48	-
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-...	9337066817.67	-
3-[(4-hydroxyphenyl)methyl]-octahydropyrrolo[1,2-a]pyrazine-...	2044237076.67	-
3,4-Methylenedioxy-alpha-pyrrolidinobutyrophenone	34866566.92	-
3,5-di-tert-Butyl-4-hydroxybenzaldehyde	45281890.67	-
3,8-dihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-c...	-	6883460.31
3^-Adenosine monophosphate (3^-AMP)	382974078.42	-
3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione	1891700069.17	-
3-benzy-6-isopropyl-3,6-dihydropyrazine-2,5-diol_1	143414774.41	-
3-benzy-6-isopropyl-3,6-dihydropyrazine-2,5-diol_2	145447188.88	-
3-heptyl-3,6-dihydro-1H-furo[3,4-c]furan-4-one	17455865.29	-
3-methyl-5-(5-methyl-3-isoxazolyl)-1-phenyl-1H-pyrazole-4-ca...	-	10470228.40
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione_1	9455809959.17	-
3-(propan-2-yl)-octahydropyrrolo[1,2-a]pyrazine-1,4-dione_2	871247295.53	-
3-(secbutyl)-1-hydroxy-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyra...	812649425.10	-
3-(secbutyl)-1-hydroxy-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyra...	542316007.25	-
4,4^-Methylenebis(2-methylaniline)	143391969.81	-
4,6-Dimethyl-2(1H)-pyrimidinone	418330073.25	-
4-(anilinomethylidene)-3-methyl-4,5-dihydroisoxazol-5-one	590513350.23	-
4-Ethynylaniline_1	6723773417.50	-
4-Ethynylaniline_2	1889990904.50	-
4-Ethynylaniline_3	181050815.82	-
4-Hydroxybenzaldehyde	1648987716.17	-
4-Hydroxypropranolol	5432873.15	-
4-Indolecarbaldehyde_1	8140457140.83	-
4-Indolecarbaldehyde_2	386363418.80	-
4-Methyl-5-thiazoleethanol	260775265.43	-
4-Piperidinecarboxamide	47633088.97	-
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_1	1897003171.83	-
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_2	732110681.15	-
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_3	520937122.97	-
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_4	578178578.03	-
5,6-Dihydrophenanthridin-6-one	-	28333580.62
5-amino-2-(dimethylamino)benzoic acid	1088935445.22	-
5-Hydroxytryptophan_1	828100016.88	-
5-Hydroxytryptophan_2	657011239.95	-
6-Amino-2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino...	813421165.88	-
6-Amino-2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino...	363571689.35	-
6-Amino-2-[[1-(2-aminopropanoyl)pyrrolidine-2-carbonyl]amino...	113400639.90	-
6-amino-2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]...	234572524.23	-
6-Amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-methylpen...	168262141.82	-
6-Amino-2-[[2-[(2-amino-3-methylpentanoyl)amino]-4-methylpen...	66510887.62	-
6-Amino-2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino...	252859361.83	-
6-Amino-2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino...	262386555.65	-
6-hydroxy-4a,5-dimethy1-3-(propan-2-ylidene)-4,4a,5,6,7,8-he...	29202970.29	-
6-hydroxy-4a,5-dimethy1-3-(propan-2-ylidene)-4,4a,5,6,7,8-he...	21459771.93	-
6-(hydroxymethyl)pyridin-3-ol	55059335.48	-
6-phenyl-3,4-dihydro-1H-2,5-benzoxazocin-1-one	-	57403539.30
8-Hydroxyquinoline_1	312204808.13	-
8-Hydroxyquinoline_2	181852837.43	-
8-Hydroxyquinoline_3	108274409.25	-
Acetanilide	-	3536864792.00
Acetophenone	-	21963600887.17
Acetophenone_1	4191957739.00	-
Acetophenone_2	264898520.23	-
Adenine	-	842691169.58
Adenosine	-	32646995.71
Adenosine 3^5^-cyclic monophosphate	889109967.40	-
Adenosine 5^-monophosphate	226144556.18	-
Anthranilic acid	284334189.07	-
aspartylleucyllysine_1	723245990.68	-
aspartylleucyllysine_2	214176200.12	-
aspartyllysyllysine	11441928.20	-
Benzophenone	-	159552199.65
Bis(2-ethylhexyl) amine	35901083.26	-
Bis(4-ethylbenzylidene)sorbitol_1	1524043869.17	-
Bis(4-ethylbenzylidene)sorbitol_2	259247773.30	-
Bis(4-ethylbenzylidene)sorbitol_3	139305538.87	-
Bis(4-ethylbenzylidene)sorbitol_4	112773899.76	-
Bis(4-ethylbenzylidene)sorbitol_5	99405787.31	-
Bis(4-ethylbenzylidene)sorbitol_6	53551241.79	-
Bis(4-ethylbenzylidene)sorbitol_7	20335416.99	-
Capryloylglycine	42427495.00	-
Carbidopa	-	3354258511.83
Carnosine_1	561655299.87	-
Carnosine_2	104652731.88	-
Cetrimonium	25619939.17	-
Choline	2776002961.50	-
Coniine_1	613994482.28	-
Coniine_2	619172008.47	-
Cyclo(leucylprolyl)_1	4061293961.67	-
Cyclo(leucylprolyl)_2	2188199529.00	-
Cyclo(leucylprolyl)_3	515976584.75	-
Cyclo(phenylalanyl-prolyl)	2396816640.67	-
Decanamide	21965680.39	-
Dibutyl sebacate	-	7213708.09
Diisobutylphthalate	123341282.44	-
Diphenylamine	-	5889907.52
DL-Lysine	174258694.28	-
Docosanamide_1	71782189.05	-
Docosanamide_2	10238484.13	-
D-(+)-Pipecolinic acid	1130356104.83	-
D-(+)-Pyroglutamic Acid	-	133683630.28
glutaminylprolyllysine	570721610.77	-
glutamylleucyllysine_1	3855391518.00	-
glutamylleucyllysine_2	705148045.40	-
glutamylleucyllysine_3	522093343.18	-
glutamylleucyllysine_4	69868055.23	-
Guanine	-	569201513.02
Guanine_1	423891745.37	-
Guanine_2	202980335.00	-
Hexadecanamide	-	12746958.02
Hypoxanthine	1005278002.23	-
Indole-3-acrylic acid	86922453843.83	-
Irgafos 168	19154402.17	-
Isoleucine	81747540704.33	-
isoleucylasparaginyllysine	74697715.83	-
Isophorone	49736950.04	-
Isoquinoline_1	853066286.30	-
Isoquinoline_2	139102042.60	-
Isoquinoline_3	159607208.17	-
Isoquinoline_4	66691742.07	-
Isoquinoline_5	18811346.60	-
L-Alanyl-L-proline_1	371723682.75	-
L-Alanyl-L-proline_2	89991698.42	-
leucylasparaginyllysine	19266951.03	-
Leucylproline_1	4034675807.83	-
Leucylproline_10	183415997.67	-
Leucylproline_11	220294156.50	-
Leucylproline_12	173277032.20	-
Leucylproline_13	161628342.68	-
Leucylproline_14	119356418.45	-
Leucylproline_15	75962394.58	-
Leucylproline_2	2019267380.33	-
Leucylproline_3	1295586953.17	-
Leucylproline_4	485614721.63	-
Leucylproline_5	446082448.10	-
Leucylproline_6	451930068.28	-
Leucylproline_7	240204141.93	-
Leucylproline_8	241870586.67	-
Leucylproline_9	263368984.90	-
L-Glutamic acid	212937769.98	-
L-Histidine	239960232.70	-
L-leucyl-L-asparaginyl-L-histidine	-	176647624.78
L-prolyl-L-leucyl-L-histidine_1	17566690040.00	-
L-prolyl-L-leucyl-L-histidine_2	306331859.73	-
L-prolyl-L-leucyl-L-histidine_3	232319697.65	-
L-Pyroglutamic acid_1	456207358.13	-
L-Pyroglutamic acid_2	534342547.72	-
L-Pyroglutamic acid_3	342728743.50	-
L-Pyroglutamic acid_4	239461925.72	-
L-Tyrosine	234650573.22	-
L-valyl-L-leucyl-L-histidine	208967950.22	-
Methyl 3,5-di-tert-butyl-4-hydroxybenzoate	-	1551183.33
N1-(2-pyridyl)-2-(3,5-difluorophenyl)acetamide	1982737602.00	-
N1-tetrahydrofuran-2-ylmethyl-2-cyanoacetamide	78326308.12	-
N-(2-Furylmethyl)-3-{[5-(2-pyridinyl)-1,2-oxazol-3-yl]methyl...	42203249.03	-
N-(2-Furylmethyl)-3-{[5-(2-pyridinyl)-1,2-oxazol-3-yl]methyl...	18467584.59	-
N6-Acetyl-L-lysine	236150511.00	-
N-Acetyl-L-leucine	-	85932382.06
N-Acetylornithine	655414491.95	-
Nicotinic acid_1	1167927629.00	-
Nicotinic acid_2	1199078546.15	-
Nicotinic acid_3	229503608.51	-
Nipecotic acid_1	-	1827206185.83
Nipecotic acid_2	-	1726358135.00
N,N^-Dicyclohexylurea	2585537.92	-
N,N-Dimethyldecylamine N-oxide	5897391.17	-
Nootkatone	18961284.18	-
Norharman	88071429.09	-
octadec-9-ynoic acid_1	-	4272606.29
octadec-9-ynoic acid_2	-	1031278.45
Oleamide	24825785.76	-
Ornithine	-	15623951.86
phenylalanyl-L-prolyl-L-histidine	226144952.80	-
phenylalanylprolyllysine	654113511.12	-
Pilocarpine	2683272049.50	-
Prolinamide	191172462.77	-
Proline_1	1565053950.33	-
Proline_2	984664196.70	-
Proline_3	830883025.43	-
Proline_4	819635755.80	-
Proline_5	580319899.30	-
Proline_6	397929978.67	-
Prolylleucine_1	4497569401.33	-
Prolylleucine_2	1573816190.33	-
Prolylleucine_3	878315354.52	-
Prolylleucine_4	155902212.77	-
Prolylleucine_5	146519566.55	-
prolylprolyllysine_1	4087049906.67	-
prolylprolyllysine_2	558939035.02	-
Pyridoxamine	-	5311640585.83
Quinoline	-	777386745.57
serylleucyllysine_1	743854672.32	-
serylleucyllysine_2	250224706.85	-
Spermidine	189658624.35	-
Spermine	255378966.28	-
Tacrine	-	16054592.93
threonylleucyllysine	-	101727718.65
Thymine	-	165716554.59
Tributylamine	-	4852597.89
Triphenylphosphine oxide	-	9534775.04
Tris(2-chloroethyl) phosphate	17885555.98	-
Tryptamine	-	2595657130.33
Valine_1	12106508164.17	-
Valine_2	495523948.53	-
Valylleucyllysine_1	156552315.45	-
Valylleucyllysine_2	129539324.17	-
Valylleucyllysine_3	83140398.54	-
Valylleucyllysine_4	45059527.25	-
Valylleucyllysine_5	32826967.66	-
Valylproline_1	763573432.03	-
Valylproline_2	635935641.30	-
Vasicinone	-	413251125.67
α-Aspartylphenylalanine	194348436.62	-
α-Pyrrolidinopropiophenone	13238907.31	-

Factors:

F1	Sample source:Bacillus licheniformis \| factor:ground
F2	Sample source:Bacillus licheniformis \| factor:space