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Details of Docosanoic acid (1TMS)

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Role Analyte
nameDocosanoic acid (1TMS)
MPIMP IDA265002
isotopomerambient
formulaC25H52O2Si
molecular mass412.766
monoisotopic mass412.37366
InChIInChI=1S/C25H52O2Si/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(2,3)4/h5-24H2,1-4H3
InChIKeyBJBBFOVJCKMBAL-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,650.64
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27b7209119-1444-453d-a073-ce1bcb306a1a%27)

Synonyms of Docosanoic acid (1TMS)

propertyvalue
ChemSpider ID455813
PubChem CID522539
2 synonym(s)

Metabolite mapped to Docosanoic acid (1TMS)

Reference spectra of Docosanoic acid (1TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
73/30/2011 4:52:37 PM Fiehn_GC_2010 
27/19/2007 11:16:30 AM VAR5Reference Substance
35/1/2001 12:00:00 AM M[EIGTMS]Standard
46/1/2001 12:00:00 AM M[EIGTMS]Standard
88/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
511/26/2004 12:00:00 AM M[FAME4090]Standard
65/12/2005 12:00:00 AM M[NIST] 
8 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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service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
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