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Butanoic acid, 4-methylthio-2-oxo- (1MEOX) (1TMS) MP

 

Replica Mass Spectra of Butanoic acid, 4-methylthio-2-oxo- (1MEOX) (1TMS) MP

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFMDN35Reference Substance
219 July 2007 MS-TOFVAR5Reference Substance
2 spectrum(a)
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Spectrum Details

analyteButanoic acid, 4-methylthio-2-oxo- (1MEOX) (1TMS) MP
analyte InChIInChI=1S/C9H19NO3SSi/c1-12-10-8(6-7-14-2)9(11)13-15(3,4)5/h6-7H2,1-5H3/b10-8+
analyte mass249.4
chromatogram10300xx_41
citationNA
authorsKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date05 June 2013
metabolite role 
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,450.24 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity437,152
mass-intensity-peaks cardinality256 intensities
minimal m/z60
maximal m/z549
download JCAMP DXSpectrumJcampDx.ashx?id=534766d7-5ebe-449b-9092-4b0a28e85fe4
download MSPSpectrumMsp.ashx?id=534766d7-5ebe-449b-9092-4b0a28e85fe4

GC-Method

nameMRI_2013
citation 
no method details available

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