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Details of Pentadecane, n-

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Role Analyte
namePentadecane, n-
MPIMP IDA150001
isotopomerambient
formulaC15H32
molecular mass212.415
monoisotopic mass212.25040
InChIInChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
InChIKeyYCOZIPAWZNQLMR-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,500
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27896d4b7e-bf33-4d54-82ce-7360d88e8dc8%27)

Synonyms of Pentadecane, n-

propertyvalue
BRENDA30112
CAS629-62-9
ChEBI IDChEBI:28897
ChEBI ontologyis a alkane
ChemSpider ID11885
MetaCycCPD-7946
Method [J Kopka]non-derivatized
PubChem CID12391
PubChem SID92298024
synonym(TS2) n-pentadecane (C15)
16 synonym(s)

Metabolite mapped to Pentadecane, n-

Reference spectra of Pentadecane, n-

replicaentry datedetectionmethodspecies
111/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
1511/3/2010 4:21:16 PM Schomburg_GC_2010 
23/25/2002 12:00:00 AM M[EIGTMS]Standard Addition
35/12/2005 12:00:00 AM M[NIST] 
167/23/2012 11:19:03 AM VAR5 
42/22/2005 12:00:00 AM M[STR] 
106/27/2008 2:29:25 PM VAR5na
55/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
116/27/2008 2:15:31 PM VAR5na
61/25/2005 12:00:00 AM M[MOR] 
14 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 8/7/2013 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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