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Details of Pentane, n-

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Role Analyte
namePentane, n-
MPIMP IDA000421
isotopomerambient
formulaC5H12
molecular mass72.149
monoisotopic mass72.09390
InChIInChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3
InChIKeyOFBQJSOFQDEBGM-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36) 
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27d7852ae3-f426-48a4-9160-3ea87b712e1f%27)

Synonyms of Pentane, n-

propertyvalue
CAS109-66-0
ChemSpider ID7712
MetaCycCPD-9285
synonymn-Pentane
synonymPentane
5 synonym(s)

Metabolite mapped to Pentane, n-

metabolitestereoisomerisotopomer
Pentanen- ambient
1 metabolite(s)

Reference spectra of Pentane, n-

replicaentry datedetectionmethodspecies
15/12/2005 12:00:00 AM M[NIST] 
1 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 Hummel J.
service last updated 03/01/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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