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Details of Aconitic acid, trans- (3TMS)

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Role Analyte
nameAconitic acid, trans- (3TMS)
MPIMP IDA176014
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-ZRDIBKRKSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,747.84
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%278b6148d6-267c-4040-8046-2024aec6287f%27)

Synonyms of Aconitic acid, trans- (3TMS)

propertyvalue
ChemSpider ID4509740
PubChem CID5352948
2 synonym(s)

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

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

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
43/26/2010 9:53:44 AM VAR5Reference Substance
53/30/2011 4:52:37 PM Fiehn_GC_2010 
211/26/2004 12:00:00 AM M[FAME4090]Standard
35/12/2005 12:00:00 AM M[NIST] 
5 spectrum(a)
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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