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Details of Heptadecanoic acid (1TMS)

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Role Analyte
nameHeptadecanoic acid (1TMS)
MPIMP IDA214005
isotopomerambient
formulaC20H42O2Si
molecular mass342.632
monoisotopic mass342.29541
InChIInChI=1S/C20H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(2,3)4/h5-19H2,1-4H3
InChIKeyKCEZRIREPDDPDI-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,144.58
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2717859e72-3231-4417-b85a-f685c8b8650e%27)

Synonyms of Heptadecanoic acid (1TMS)

propertyvalue
ChemSpider ID455024
PubChem CID521635
2 synonym(s)

Metabolite mapped to Heptadecanoic acid (1TMS)

Reference spectra of Heptadecanoic acid (1TMS)

replicaentry datedetectionmethodspecies
15/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
27/19/2007 11:16:30 AM VAR5Reference Substance
311/1/2001 12:00:00 AM M[EIGTMS]Corynebacterium glutamicum
49/7/2004 12:00:00 AM M[2] 
128/28/2012 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] 
113/30/2011 4:52:37 PM Fiehn_GC_2010 
79/7/2004 12:00:00 AM M[6]Saccharomyces cerevisiae
87/19/2007 11:16:30 AM MDN35Reference Substance
12 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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