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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] 
522 February 2005 MS-TOFM[STR] 
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
22 spectrum(a)
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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
chromatogram10300xx_41
citationNA
authorsKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date05 June 2013
metabolite role 
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1.749,69 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity1.705.031
mass-intensity-peaks cardinality347 intensities
minimal m/z60
maximal m/z550
download JCAMP DXSpectrumJcampDx.ashx?id=7d9f5d65-6630-4b07-9eac-fe465477d673
download MSPSpectrumMsp.ashx?id=7d9f5d65-6630-4b07-9eac-fe465477d673

GC-Method

nameMRI_2013
citation 
no method details available

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