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

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Role Analyte
nameIsocaproic acid, 2-oxo- (1MEOX) (1TMS) BP
MPIMP IDA125002
isotopomerambient
formulaC10H21NO3Si
molecular mass231.364
monoisotopic mass231.12907
InChIInChI=1S/C10H21NO3Si/c1-8(2)7-9(11-13-3)10(12)14-15(4,5)6/h8H,7H2,1-6H3/b11-9+
InChIKeyOWRQZYHPMBQGDO-PKNBQFBNSA-N
substructure TMS1
substructure TBS0
substructure H3ON1
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,168.35
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27e3024f88-c432-4f2f-a842-c72f4abd9fad%27)

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

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

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

replicaentry datedetectionmethodspecies
48/28/2012 5:51:49 PM MassBank GC 2010 Ara 
111/26/2004 12:00:00 AM M[FAME4090]Standard
33/30/2011 4:52:37 PM Fiehn_GC_2010 
27/19/2007 11:16:30 AM VAR5Reference Substance
4 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 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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