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Details of Caproic acid, 2-oxo- (1MEOX) (1TMS) BP

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Role	Analyte
name	Caproic acid, 2-oxo- (1MEOX) (1TMS) BP
MPIMP ID	A131004
isotopomer	ambient
formula	C10H21NO3Si
molecular mass	231.364
monoisotopic mass	231.12907
InChI	InChI=1S/C10H21NO3Si/c1-6-7-8-9(11-13-2)10(12)14-15(3,4)5/h6-8H2,1-5H3/b11-9+
InChIKey	NQWZYCOPCGETLB-PKNBQFBNSA-N
substructure TMS	1
substructure TBS	0
substructure H3ON	1
substructure CH3O	0
retention index (VAR5 method, n-alkanes C10–C36)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27f089e049-4a96-4a12-9153-2f598700b90b%27)

Synonyms of Caproic acid, 2-oxo- (1MEOX) (1TMS) BP

property	value
CAS	55494-01-4
ChemSpider ID	7876023
synonym	2-Ketocaproic acid
synonym	Hexanoic acid, 2-(methoxyimino)-, trimethylsilyl ester
4 synonym(s)

Metabolite mapped to Caproic acid, 2-oxo- (1MEOX) (1TMS) BP

metabolite	stereoisomer	isotopomer
Caproic acid, 2-oxo-		ambient
1 metabolite(s)

Reference spectra of Caproic acid, 2-oxo- (1MEOX) (1TMS) BP

replica	entry date	detection	method	species
2	11/26/2004 12:00:00 AM		M[FAME4090]	Standard
1 spectrum(a)

compound timestamp information
deposited	at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 12/18/2012 by Kopka J., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J., Kopka J.

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