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Details of Pentadecanoic acid (1TMS)

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Role Analyte
namePentadecanoic acid (1TMS)
MPIMP IDA195004
isotopomerambient
formulaC18H38O2Si
molecular mass314.579
monoisotopic mass314.26411
InChIInChI=1S/C18H38O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-21(2,3)4/h5-17H2,1-4H3
InChIKeySHDTWSQDHLKGEO-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,945.52
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27b5b0eba3-6ba2-4696-a18d-522bc6d53990%27)

Synonyms of Pentadecanoic acid (1TMS)

propertyvalue
ChemSpider ID456720
PubChem CID523679
2 synonym(s)

Metabolite mapped to Pentadecanoic acid (1TMS)

Reference spectra of Pentadecanoic acid (1TMS)

replicaentry datedetectionmethodspecies
1211/3/2010 4:23:37 PM Schomburg_GC_2010 
12/1/2005 12:00:00 AM M[6]Reference Substance
25/1/2001 12:00:00 AM M[EIGTMS]Arabidopsis thaliana
39/7/2004 12:00:00 AM M[6]Saccharomyces cerevisiae
45/12/2005 12:00:00 AM M[NIST] 
55/1/2003 12:00:00 AM M[2]Spathodea campanulata P. Beauv.
65/12/2005 12:00:00 AM M[NIST] 
82/22/2005 12:00:00 AM M[STR] 
136/5/2013 12:39:00 PM MRI_2013 
96/16/2005 12:00:00 AM M[STR] 
12 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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