Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST001265

(Analysis AN002102): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structure	F1	F2	F3	F4	F5
1,1,1,5,7,7,7-Heptamethyl-3,3-bis(trimethylsiloxy)tetrasilox...	-	8216347.00	6856043.00	-	7121779.00
18-Methyl-nonadecanol, trimethylsilyl ether	-	-	1002285.00	-	385256.00
1H-Azonine, octahydro-1-nitroso-	-	-	998300.00	-	710926.00
1-Hexanol, 5-methyl-2-(1-methylethyl)-	-	-	170485.00	-	-
1-Monomyristin, 2TMS derivative	-	20073580.00	14360122.00	-	16199139.00
1-Monopalmitin, 2TMS derivative	-	748222288.00	725688268.00	430815.00	655278547.00
2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-.beta.-D-r...	-	8018536.00	3972490.00	-	-
2,2^-Sulfinyldiethanol, 2TMS derivative	-	-	952592.00	-	985497.00
2,3,4-Trihydroxybutyric acid tetrakis	-	4707336.00	6242033.00	-	5996779.00
2,3-Dihydroxypropyl icosanoate, 2TMS derivative	-	4720541.00	3565644.00	-	3980275.00
2,4^-Bipyridine	-	-	1093634.00	-	-
2-Butenedioic acid, (E)-, 2TMS derivative	-	1528801.00	2498902.00	582703.00	1871099.00
(2-Ethoxyethoxy)acetic acid, TMS derivative	-	3588884.00	3591291.00	-	-
2-Methyl-6-tert-butylphenol, TMS derivative	108732894.00	61793387.00	56096509.00	-	95799753.00
2-Methyltetracosane	-	-	1089644.00	-	2711590.00
2-Monostearin, 2TMS derivative	-	3587058.00	1864294.00	-	2952262.00
3-Aminoisobutyric acid, 3TMS derivative	-	2686471.00	3447730.00	992691.00	-
3-Ethyl-3-methylheptadecane	-	-	216819.00	-	-
3-Pyridinol, TMS derivative	-	730440.00	970561.00	-	-
4-Aminobutanoic acid, 3TMS derivative	-	-	15822091.00	-	-
4-Hydroxybutanoic acid, 2TMS derivative	-	-	596333.00	-	-
5-Methyluridine, 3TMS derivative	-	-	2665893.00	-	-
6-Dimethyl(trimethylsilyl)silyloxytetradecane	-	157392.00	578909.00	-	-
9,12-Octadecadienoic acid (Z,Z)-, TMS derivative	-	21675714.00	20037127.00	-	20762372.00
9-Octadecenamide, (Z)-	22103423.00	-	53146417.00	-	-
Acetoin, TMS derivative	-	-	2021585.00	-	-
Adenosine, 4TMS derivative	-	2851465.00	10346826.00	-	-
Alanine, 2TMS derivative	-	4899056.00	2167166.00	-	1696802.00
Amphetamine, 2TMS derivative	-	-	1098751.00	-	-
benzene, 1,1^-methylenebis[3-(1,1-dimethylethyl)-5-methyl-4-...	-	28567659.00	42673697.00	-	20333567.00
Benzoic Acid, TMS derivative	-	-	357662.00	-	-
.beta.-Alanine, 3TMS derivative	-	-	1011004.00	-	-
.beta.-D-Galactofuranoside, ethyl 2,3,5,6-tetrakis-O-(trimet...	-	-	469232.00	-	-
Boric acid, 3TMS derivative	-	23321619.00	23321619.00	384617821.00	-
Butanedioic acid, 2TMS derivative	-	4746815.00	4654901.00	845520.00	4151836.00
Cholesterol, TMS derivative	17827559.00	3066638.00	8293218.00	70835367.00	12102866.00
Citric acid, 4TMS derivative	-	8083869.00	6263400.00	-	-
Cyclohexasiloxane, dodecamethyl-	8928220.00	2425750.00	973227.00	2261580.00	-
Cyclopentanemethanol, .alpha.-cyclohexyl-2-nitro-	-	-	1437515.00	-	-
Deoxyglucose, 4TMS derivative	-	-	26071453.00	-	-
D-Galactofuranose, 1,2,3,5-tetrakis-O-(trimethylsilyl)-, bis...	-	7305680.00	4247381.00	-	-
D-Gluconic acid, 6TMS derivative	-	5370617.00	4991403.00	-	-
d-Glucose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methylo...	-	22356914.00	9635809.00	-	-
d-Glucose, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, o-methyloxi...	-	2295652.00	2390988.00	-	-
Diethylene glycol, 2TMS derivative	-	879981.00	508831.00	-	-
Diisooctyl phthalate	-	-	4019977.00	-	-
DL-Phenylalanine, TMS derivative	-	7999166.00	2458644.00	-	-
d-Mannose, 2,3,4,5,6-pentakis-O-(trimethylsilyl)-, o-methylo...	3278546.00	-	3010342.00	-	-
Dodecanoic acid, TMS derivative	-	-	2405771.00	821367.00	-
D-Pinitol, pentakis(trimethylsilyl) ether	14634505.00	-	38510171.00	-	45401248.00
D-(+)-Ribono-1,4-lactone, 3TMS derivative	-	-	62588114.00	-	60622872.00
D-(-)-Tagatose, pentakis(trimethylsilyl) ether, methyloxime ...	-	-	3568082.00	-	-
Eicosanoic acid, TMS	-	-	6318356.00	-	-
Erythro-Pentonic acid, 2-deoxy-3,4,5-tris-O-(trimethylsilyl)...	-	2934564.00	3302572.00	-	2455636.00
Ethylene glycol, 2TMS derivative	-	-	3805783.00	-	-
Ethylphosphonic acid, 2TMS derivative	-	2199159.00	2825696.00	-	2564961.00
Glucopyranose, 5TMS derivative	-	21798540.00	13472478.00	23.36	23.39
Glyceric acid, 3TMS derivative	-	1205776.00	1261658.00	677598.00	862986.00
Glycerol, 3TMS derivative	9011155.00	-	37655907.00	4358175.00	97130865.00
Glycerol monostearate, 2TMS derivative	71396128.00	352315760.00	355277040.00	-	302379487.00
Glycine, 2TMS derivative	-	2082755.00	1615541.00	-	1032492.00
Glycolic acid, 2TMS derivative	-	225444.00	278303.00	-	266851.00
Heptadecanoic acid, glycerine-(1)-monoester, bis-O-trimethyl...	-	2675410.00	1889228.00	-	2047385.00
Heptadecanoic acid, TMS derivative	-	8018536.00	932062.00	-	-
Heptadecyl acetate	4307192.00	-	4140022.00	-	14309998.00
L-5-Oxoproline, , 2TMS derivative	-	21049984.00	18654026.00	20064518.00	2630123.00
Lactic Acid, 2TMS derivative	21342253.00	135115766.00	155779670.00	-	228585341.00
L-Aspartic acid, 2TMS derivative	-	13323823.00	11095137.00	-	-
Levoglucosan, 3TMS derivative	-	2171042.00	2158786.00	-	-
L-Hydroxyproline, (E)-, 2TMS derivative	-	8449003.00	5809140.00	-	-
L-Isoleucine, TMS derivative	-	4412840.00	5495186.00	664503.00	5206709.00
L-Leucine, TMS derivative	-	11211540.00	4401764.00	400788.00	5302656.00
L-Proline, 2TMS derivative	-	1226575.00	1990273.00	-	-
L-Proline, TMS derivative	-	4646866.00	2484408.00	-	-
L-Threonine, 2TMS derivative	-	2599095.00	2587250.00	-	2599095.00
L-Tyrosine, 3TMS derivative	-	-	2263508.00	913608.00	-
L-Valine, 2TMS derivative	-	-	833561.00	-	-
L-Valine, TMS derivative	-	2448318.00	1473123.00	-	1184688.00
Malic acid, 3TMS derivative	-	32721975.00	30825026.00	-	17389740.00
Myo-Inositol, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-, bis(tr...	-	11647390.00	7284716.00	-	6007297.00
Myristic acid, TMS derivative	-	-	967775.00	-	-
N-Acetylaminoethanol, TMS derivative	-	-	1169597.00	-	-
N,N-Dimethyldodecanamide	7140680.00	-	4800988.00	-	8369157.00
Nonadecane	-	-	941706.00	-	727665.00
Octadecane-1,2-diol, 2TMS derivative	-	9552163.00	7414257.00	5427308.00	8676122.00
Octadecane, 5-methyl-	-	-	1439130.00	-	-
Octasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11,13,13,15,15-hexadeca...	15057648.00	10707270.00	5396325.00	3216188.00	12003544.00
Oleic Acid, (Z)-, TMS derivative	-	9953575.00	7384438.00	4107097.00	9608737.00
Palmitic Acid, TMS derivative	48574221.00	172160405.00	306689365.00	21900783.00	390605918.00
Pentadecanoic acid, TMS derivative	-	-	1278013.00	-	-
Pentanedioic acid, 2-[(trimethylsilyl)oxy]-, bis(trimethylsi...	-	734124.00	1354400.00	-	-
Phenol, 2,2^-methylenebis[6-(1,1-dimethylethyl)-4-methyl-	53356073.00	-	1520808.00	-	11653162.00
Phosphoric acid, bis(trimethylsilyl) 2,3-bis[(trimethylsilyl...	-	24335810.00	18037128.00	1494950.00	11923779.00
Phosphorylethanolamine, 4TMS derivative	-	-	7396066.00	-	-
Pimelic acid, 2TMS derivative	-	-	546659.00	348700.00	-
Propanoic acid, 3-[methyl[2-oxo-2-[(trimethylsilyl)oxy]ethyl...	-	-	9441883.00	-	985497.00
Pyroglutamic acid, TMS derivative	-	5508543.00	8720110.00	-	9582395.00
Scyllo-Inositol, 6TMS derivative	-	-	1783065.00	-	616640.00
Sebacic acid, 2TMS derivative	-	-	2221057.00	-	-
Silane, [(1-methoxy-1,3-propanediyl)bis(oxy)]bis[trimethyl-	-	-	14886287.00	7024276.00	-
Spermine, 6TMS derivative	-	27.30	1872030.00	-	-
Stearic acid, TMS derivative	36067511.00	130881548.00	222010162.00	16141552.00	263133932.00
Stigmast-5-ene, 3.beta.-(trimethylsiloxy)-, (24S)-	-	2194388.00	2036593.00	-	2708608.00
Stigmasterol, TMS derivative	-	658466.00	674722.00	-	800923.00
Succinic acid, 3,5-difluorophenyl 2-(dimethylamino)ethyl est...	-	8494069.00	12240640.00	-	-
Sulfurous acid, decyl 2-propyl ester	-	-	503838.00	-	-
Thiodiglycol, 2TMS derivative	1784213.00	10610738.00	8177157.00	-	10115886.00
Triethanolamine, 3TMS derivative	-	13106735.00	10835385.00	-	12976871.00
Trisiloxane, 1,1,1,5,5,5-hexamethyl-3,3-bis[(trimethylsilyl)...	-	3735642.00	2831229.00	-	4673349.00

Factors:

F1	Exctraction:0.2% Ammonium hydroxide in water
F2	Exctraction:0.2% Formic acid in water
F3	Exctraction:Acetonitrile/Water
F4	Exctraction:Ethyl acetate
F5	Exctraction:Methanol/Water