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Details of Butanoic acid, 4-methylthio-2-oxo- (1MEOX) (1TMS) BP

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Role Analyte
nameButanoic acid, 4-methylthio-2-oxo- (1MEOX) (1TMS) BP
MPIMP IDA142013
isotopomerambient
formulaC9H19NO3SSi
molecular mass249.404
monoisotopic mass249.08549
InChIInChI=1S/C9H19NO3SSi/c1-12-10-8(6-7-14-2)9(11)13-15(3,4)5/h6-7H2,1-5H3/b10-8-
InChIKeyVXFSPLQPTNCVAA-NTMALXAHSA-N
substructure TMS1
substructure TBS0
substructure H3ON1
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,429.73
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2784964779-095a-41bb-9207-f15f41f25bfe%27)

Synonyms of Butanoic acid, 4-methylthio-2-oxo- (1MEOX) (1TMS) BP

Metabolite mapped to Butanoic acid, 4-methylthio-2-oxo- (1MEOX) (1TMS) BP

Reference spectra of Butanoic acid, 4-methylthio-2-oxo- (1MEOX) (1TMS) BP

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
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 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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