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Details of Eicosanoic acid (1TMS)

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Role Analyte
nameEicosanoic acid (1TMS)
MPIMP IDA245001
isotopomerambient
formulaC23H48O2Si
molecular mass384.712
monoisotopic mass384.34236
InChIInChI=1S/C23H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-26(2,3)4/h5-22H2,1-4H3
InChIKeyAYSGFBVOWSXJCN-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,453.82
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%277fc9eee3-ed3e-4480-bb5e-04c0afbbbf58%27)

Synonyms of Eicosanoic acid (1TMS)

propertyvalue
ChemSpider ID455036
PubChem CID521648
2 synonym(s)

Metabolite mapped to Eicosanoic acid (1TMS)

Reference spectra of Eicosanoic acid (1TMS)

replicaentry datedetectionmethodspecies
158/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
15/1/2001 12:00:00 AM M[EIGTMS]Standard
29/7/2004 12:00:00 AM M[6]Standard Addition
31/1/2003 12:00:00 AM M[2]Standard
41/25/2005 12:00:00 AM M[MOR] 
143/30/2011 4:52:37 PM Fiehn_GC_2010 
59/7/2004 12:00:00 AM M[2] 
65/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
75/1/2001 12:00:00 AM M[EIGTMS]Standard
87/19/2007 11:16:30 AM MDN35Reference Substance
15 spectrum(a)
    of 2    
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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