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

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Role Analyte
nameIsovaleric acid, 2-oxo- (1MEOX) (1TMS) BP
MPIMP IDA121003
isotopomerambient
formulaC9H19NO3Si
molecular mass217.338
monoisotopic mass217.11342
InChIInChI=1S/C9H19NO3Si/c1-7(2)8(10-12-3)9(11)13-14(4,5)6/h7H,1-6H3/b10-8-
InChIKeyCALQXVJPGUTRRJ-NTMALXAHSA-N
substructure TMS1
substructure TBS0
substructure H3ON1
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,121.66
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%270c722639-60a6-4ee5-b0c0-e624a10df0fc%27)

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

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

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

replicaentry datedetectionmethodspecies
58/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
43/30/2011 4:52:37 PM Fiehn_GC_2010 
111/26/2004 12:00:00 AM M[FAME4090]Standard
27/19/2007 11:16:30 AM VAR5Reference Substance
311/3/2010 4:21:25 PM Schomburg_GC_2010 
5 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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