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Details of Pentacosanoic acid (1TMS)

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Role Analyte
namePentacosanoic acid (1TMS)
MPIMP IDA294004
isotopomerambient
formulaC28H58O2Si
molecular mass454.845
monoisotopic mass454.42061
InChIInChI=1S/C28H58O2Si/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(2,3)4/h5-27H2,1-4H3
InChIKeyCONPYQNNHLKERQ-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,937.21
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27253e3df6-267d-42e8-bfc6-fca2cd161e92%27)

Synonyms of Pentacosanoic acid (1TMS)

propertyvalue
ChemSpider ID458648
PubChem CID526092
2 synonym(s)

Metabolite mapped to Pentacosanoic acid (1TMS)

Reference spectra of Pentacosanoic acid (1TMS)

replicaentry datedetectionmethodspecies
15/1/2001 12:00:00 AM M[EIGTMS]Standard
27/19/2007 11:16:30 AM MDN35Reference Substance
37/19/2007 11:16:30 AM VAR5Reference Substance
3 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.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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