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Hexadecanoic acid (1TMS)

 

Replica Mass Spectra of Hexadecanoic acid (1TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
3405 June 2013  MRI_2013 
412 May 2005  M[NIST] 
501 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
811 September 2005  M[FAME4090]Standard
901 December 2003 MS-QuadM[2]Standard
1001 October 2001 MS-TOFM[EIGTMS]Standard Addition
1112 May 2005  M[NIST] 
1201 May 2003 MS-QuadM[2]Spathodea campanulata P. Beauv.
3230 March 2011  Fiehn_GC_2010 
26 spectrum(a)
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Spectrum Details

analyteHexadecanoic acid (1TMS)
analyte InChIInChI=1S/C19H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h5-18H2,1-4H3
analyte mass328.61
chromatogram4117ED59
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)2.045,88 (predicted, according to Strehmel, N. et.al)
base peak (m/z)117
maximal intensity999
mass-intensity-peaks cardinality111 intensities
minimal m/z85
maximal m/z329
download JCAMP DXSpectrumJcampDx.ashx?id=852b2ac2-dbed-4417-929e-178234e545ae
download MSPSpectrumMsp.ashx?id=852b2ac2-dbed-4417-929e-178234e545ae

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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