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Octadecadienoic acid, 9,12-(Z,Z)- (1TMS)

 

Replica Mass Spectra of Octadecadienoic acid, 9,12-(Z,Z)- (1TMS)

replicalib entry datedetectionmethodspecies
1330 March 2011  Fiehn_GC_2010 
201 May 2001 MS-TOFM[EIGTMS]Standard Addition
1428 August 2012  MassBank GC 2010 Kusano 
319 July 2007 MS-TOFVAR5Reference Substance
407 September 2004 MS-QuadM[2] 
501 May 2001 MS-TOFM[EIGTMS]Standard
725 January 2005 MS-TOFM[MOR] 
901 May 2001 MS-TOFM[EIGTMS]Solanum tuberosum
1001 August 2001 MS-QuadM[2]Standard
1101 May 2003 MS-QuadM[2]Spathodea campanulata P. Beauv.
10 spectrum(a)
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Spectrum Details

analyteOctadecadienoic acid, 9,12-(Z,Z)- (1TMS)
analyte InChIInChI=1S/C21H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h9-10,12-13H,5-8,11,14-20H2,1-4H3/b10-9-,13-12-
analyte mass352.63
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)2,209.71 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality203 intensities
minimal m/z70
maximal m/z450
download JCAMP DXSpectrumJcampDx.ashx?id=c7945c2c-279d-4219-affa-a00ac60463b3
download MSPSpectrumMsp.ashx?id=c7945c2c-279d-4219-affa-a00ac60463b3

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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