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Heptadecanoic acid (1TMS)

 

Replica Mass Spectra of Heptadecanoic acid (1TMS)

replicalib entry datedetectionmethodspecies
101 May 2001 MS-TOFM[EIGTMS]Standard Addition
219 July 2007 MS-TOFVAR5Reference Substance
301 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
407 September 2004 MS-QuadM[2] 
1228 August 2012  MassBank GC 2010 Tsujimoto 
612 May 2005  M[NIST] 
1130 March 2011  Fiehn_GC_2010 
707 September 2004 MS-TOFM[6]Saccharomyces cerevisiae
819 July 2007 MS-TOFMDN35Reference Substance
912 May 2005  M[NIST] 
11 spectrum(a)
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Spectrum Details

analyteHeptadecanoic acid (1TMS)
analyte InChIInChI=1S/C20H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(2,3)4/h5-19H2,1-4H3
analyte mass342.63
chromatogram4085ED39
citation 
authorsFiehn O, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date26 November 2004
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)2,142.69 (predicted, according to Strehmel, N. et.al)
base peak (m/z)117
maximal intensity999
mass-intensity-peaks cardinality127 intensities
minimal m/z85
maximal m/z343
download JCAMP DXSpectrumJcampDx.ashx?id=b94d6077-0e2d-4def-91f3-680bb6aaf792
download MSPSpectrumMsp.ashx?id=b94d6077-0e2d-4def-91f3-680bb6aaf792

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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