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Octadecenoic acid, 9-(Z)- (1TMS)

 

Replica Mass Spectra of Octadecenoic acid, 9-(Z)- (1TMS)

replicalib entry datedetectionmethodspecies
1603 November 2010  Schomburg_GC_2010 
219 July 2007 MS-TOFMDN35Reference Substance
301 May 2001 MS-TOFM[EIGTMS]Standard
401 February 2005 MS-TOFM[6]Reference Substance
501 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
601 May 2003 MS-QuadM[2]Spathodea campanulata P. Beauv.
1730 March 2011  Fiehn_GC_2010 
719 July 2007 MS-TOFVAR5Reference Substance
812 May 2005  M[NIST] 
901 September 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
17 spectrum(a)
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Spectrum Details

analyteOctadecenoic acid, 9-(Z)- (1TMS)
analyte InChIInChI=1S/C21H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h12-13H,5-11,14-20H2,1-4H3/b13-12-
analyte mass354.64
chromatogramNA(_49)
citation 
authorsRoessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date22 January 2005
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)2,216.31 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality241 intensities
minimal m/z70
maximal m/z588
download JCAMP DXSpectrumJcampDx.ashx?id=1373f264-0cf9-41ae-8187-13495b6d22ee
download MSPSpectrumMsp.ashx?id=1373f264-0cf9-41ae-8187-13495b6d22ee

GC-Method

nameM[ROE]
citationU. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087
attributetextdetails
deconvolutionXcalibur program 
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detectorMS-QUADm/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extractionmethanol:chloroform 
ion sourceEI70eV
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

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