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Details of Hexadecanoic acid (1TMS)

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Role Analyte
nameHexadecanoic acid (1TMS)
MPIMP IDA205001
isotopomerambient
formulaC19H40O2Si
molecular mass328.606
monoisotopic mass328.27976
InChIInChI=1S/C19H40O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-22(2,3)4/h5-18H2,1-4H3
InChIKeyHKNNSWCACQFVIK-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,045.44
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27e8976ad5-04d7-4c42-8897-efcb2ca0a171%27)

Synonyms of Hexadecanoic acid (1TMS)

propertyvalue
ChemSpider ID455027
PubChem CID521638
2 synonym(s)

Metabolite mapped to Hexadecanoic acid (1TMS)

Reference spectra of Hexadecanoic acid (1TMS)

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
346/5/2013 12:39:00 PM MRI_2013 
211/26/2004 12:00:00 AM M[FAME4090]Standard
45/12/2005 12:00:00 AM M[NIST] 
511/1/2001 12:00:00 AM M[EIGTMS]Corynebacterium glutamicum
89/11/2005 12:00:00 AM M[FAME4090]Standard
912/1/2003 12:00:00 AM M[2]Standard
1010/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
115/12/2005 12:00:00 AM M[NIST] 
125/1/2003 12:00:00 AM M[2]Spathodea campanulata P. Beauv.
27 spectrum(a)
    of 3    
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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