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Isovaleric acid, 2-oxo- (1MEOX) (1TMS) MP

 

Replica Mass Spectra of Isovaleric acid, 2-oxo- (1MEOX) (1TMS) MP

replicalib entry datedetectionmethodspecies
728 August 2012  MassBank GC 2010 Tsujimoto 
630 March 2011  Fiehn_GC_2010 
119 July 2007 MS-TOFMDN35Reference Substance
226 November 2004  M[FAME4090]Standard
312 May 2005  M[NIST] 
419 July 2007 MS-TOFVAR5Reference Substance
6 spectrum(a)
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Spectrum Details

analyteIsovaleric acid, 2-oxo- (1MEOX) (1TMS) MP
analyte InChIInChI=1S/C9H19NO3Si/c1-7(2)8(10-12-3)9(11)13-14(4,5)6/h7H,1-6H3/b10-8+
analyte mass217.34
chromatogram10300xx_01
citationNA
authorsJäger C, Schomburg D Department of Bioinformatics and Biochemistry, Technische Universität Carolo-Wilhelmina Braunschweig, Langer Kamp 19B, D-38106 Braunschweig, Germany
lib entry date03 November 2010
metabolite role 
retention time (sec)11.15
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality115 intensities
minimal m/z45
maximal m/z281
download JCAMP DXSpectrumJcampDx.ashx?id=24dd85ef-2a99-4daf-bc67-4d865b0e4d7d
download MSPSpectrumMsp.ashx?id=24dd85ef-2a99-4daf-bc67-4d865b0e4d7d

GC-Method

nameSchomburg_GC_2010
citation 
no method details available

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