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Details of Octacosanoic acid (1TMS)

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Role Analyte
nameOctacosanoic acid (1TMS)
MPIMP IDA323003
isotopomerambient
formulaC31H64O2Si
molecular mass496.925
monoisotopic mass496.46756
InChIInChI=1S/C31H64O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31(32)33-34(2,3)4/h5-30H2,1-4H3
InChIKeyQEAMAUUPRYIKQJ-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,232.02
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27b0ed38ad-5a99-4a00-afe6-13c6fe213578%27)

Synonyms of Octacosanoic acid (1TMS)

propertyvalue
no synonym(s) available!

Metabolite mapped to Octacosanoic acid (1TMS)

Reference spectra of Octacosanoic acid (1TMS)

replicaentry datedetectionmethodspecies
54/12/2010 9:33:00 AM VAR5Reference Substance
15/1/2001 12:00:00 AM M[EIGTMS]Standard
68/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
25/1/2001 12:00:00 AM M[EIGTMS]Standard
37/19/2007 11:16:30 AM MDN35Reference Substance
41/1/2003 12:00:00 AM M[2]Standard
6 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 8/9/2011 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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service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
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