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Octadecanoic acid (1TMS)

 

Replica Mass Spectra of Octadecanoic acid (1TMS)

replicalib entry datedetectionmethodspecies
2630 March 2011  Fiehn_GC_2010 
112 May 2005  M[NIST] 
201 May 2001 MS-TOFM[EIGTMS]Standard Addition
2419 March 2010 MS-TOFVAR5Arabidopsis Thaliana
307 September 2004 MS-TOFM[6]Standard Addition
401 September 2001 MS-QuadM[2]Standard Addition
2317 March 2010 MS-TOFVAR5Brassica oleracea
601 October 2001 MS-TOFM[EIGTMS]Standard Addition
712 May 2005  M[NIST] 
2828 August 2012  MassBank GC 2010 Kusano 
29 spectrum(a)
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Spectrum Details

analyteOctadecanoic acid (1TMS)
analyte InChIInChI=1S/C21H44O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h5-20H2,1-4H3
analyte mass356.66
chromatogram4089ED18
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)2,242.18 (predicted, according to Strehmel, N. et.al)
base peak (m/z)117
maximal intensity999
mass-intensity-peaks cardinality136 intensities
minimal m/z85
maximal m/z357
download JCAMP DXSpectrumJcampDx.ashx?id=9840dea0-0a8b-46ec-a489-856793858c81
download MSPSpectrumMsp.ashx?id=9840dea0-0a8b-46ec-a489-856793858c81

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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