GOLM METABOLOME DATABASE
How would you rate the quality of this mass spectrum?
poor, not helpful 
 outstanding, most helpful.
This spectrum was 0 times rated; on average=0.0

Aconitic acid, cis- (3TMS)

 

Replica Mass Spectra of Aconitic acid, cis- (3TMS)

replicalib entry datedetectionmethodspecies
101 November 2001 MS-QuadM[2]Standard
219 July 2007 MS-TOFMDN35Reference Substance
326 November 2004  M[FAME4090]Standard
2228 August 2012  MassBank GC 2010 Ara 
425 January 2005 MS-TOFM[MOR] 
601 November 2001 MS-TOFM[EIGTMS]Standard
1717 March 2010 MS-TOFVAR5Solanum tuberosum
2128 August 2012  MassBank GC 2010 Tsujimoto 
701 May 2001 MS-TOFM[EIGTMS]Standard Addition
1903 November 2010  Schomburg_GC_2010 
22 spectrum(a)
rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Spectrum Details

analyteAconitic acid, cis- (3TMS)
analyte InChIInChI=1S/C15H30O6Si3/c1-22(2,3)19-13(16)10-12(15(18)21-24(7,8)9)11-14(17)20-23(4,5)6/h10H,11H2,1-9H3/b12-10-
analyte mass390.65
chromatogramNA(_46)
citationStrelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
authorsStrelkov S, University of Cologne, CUBIC - Institute of Biochemistry, Department Prof. Schomburg, Zuelpicher Str. 47, D-50674 Cologne, Germany
lib entry date22 February 2005
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1.741,79 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality178 intensities
minimal m/z45
maximal m/z390
download JCAMP DXSpectrumJcampDx.ashx?id=5cc9429f-48fd-417e-808e-618aa578a901
download MSPSpectrumMsp.ashx?id=5cc9429f-48fd-417e-808e-618aa578a901

GC-Method

nameM[STR]
citationStrelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
attributetextdetails
detectorMS-TOF 
ion sourceEI70eV
RIALKANEC10, C12, C15, C19, C22, C28, C32, C36
separationGCDB-5MS column (30m x 0.25µm) from J&W Scientific (Folsom, USA)

comments on this mass spectrum

Post a Comment
Name:
 
Website:  
Email:
Comments:
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
Top