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Details of Aconitic acid, cis- (3TMS)

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Role Analyte
nameAconitic acid, cis- (3TMS)
MPIMP IDA176002
isotopomerambient
formulaC15H30O6Si3
molecular mass390.652
monoisotopic mass390.13502
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-
InChIKeyRHDPKJMZPKZKTA-BENRWUELSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,741.1
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%270255a350-a680-48aa-a8f0-ef6df39159e2%27)

Synonyms of Aconitic acid, cis- (3TMS)

Metabolite mapped to Aconitic acid, cis- (3TMS)

Reference spectra of Aconitic acid, cis- (3TMS)

replicaentry datedetectionmethodspecies
111/1/2001 12:00:00 AM M[2]Standard
27/19/2007 11:16:30 AM MDN35Reference Substance
311/26/2004 12:00:00 AM M[FAME4090]Standard
228/28/2012 5:51:49 PM MassBank GC 2010 Ara 
41/25/2005 12:00:00 AM M[MOR] 
52/22/2005 12:00:00 AM M[STR] 
611/1/2001 12:00:00 AM M[EIGTMS]Standard
173/17/2010 9:36:06 AM VAR5Solanum tuberosum
218/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
75/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
23 spectrum(a)
    of 3    
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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