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Details of Caffeic acid, trans- (3TMS)

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Role Analyte
nameCaffeic acid, trans- (3TMS)
MPIMP IDA214001
isotopomerambient
formulaC18H32O4Si3
molecular mass396.701
monoisotopic mass396.16084
InChIInChI=1S/C18H32O4Si3/c1-23(2,3)20-16-12-10-15(14-17(16)21-24(4,5)6)11-13-18(19)22-25(7,8)9/h10-14H,1-9H3/b13-11+
InChIKeyMBIYCWDFSLHMSI-ACCUITESSA-N
substructure TMS3
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,135.55
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%275f2eb568-4f1c-4241-810d-95c2a13093f7%27)

Synonyms of Caffeic acid, trans- (3TMS)

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

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

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
21/25/2005 12:00:00 AM M[MOR] 
208/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
37/19/2007 11:16:30 AM MDN35Reference Substance
49/1/2001 12:00:00 AM M[2]Standard Addition
55/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
612/1/2002 12:00:00 AM M[2]Cucurbita maxima
73/15/2005 12:00:00 AM M[6]Reference Substance
89/11/2005 12:00:00 AM M[FAME4090]Standard
95/12/2005 12:00:00 AM M[NIST] 
22 spectrum(a)
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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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