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Details of Propane-1,3-diol (2TMS)

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Role Analyte
namePropane-1,3-diol (2TMS)
MPIMP IDA104003
isotopomerambient
formulaC9H24O2Si2
molecular mass220.457
monoisotopic mass220.13148
InChIInChI=1S/C9H24O2Si2/c1-12(2,3)10-8-7-9-11-13(4,5)6/h7-9H2,1-6H3
InChIKeyDWHYMKOUICVFHL-UHFFFAOYSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,038.21
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2780a76c1f-0639-40cf-be49-e3532aaac551%27)

Synonyms of Propane-1,3-diol (2TMS)

propertyvalue
CAS17887-80-8
ChemSpider ID123732
PubChem CID140303
synonymB000880
synonymPropane-1,3-diol (2TMS)
5 synonym(s)

Metabolite mapped to Propane-1,3-diol (2TMS)

Reference spectra of Propane-1,3-diol (2TMS)

replicaentry datedetectionmethodspecies
39/29/2010 4:04:51 PM VAR5 
29/29/2010 3:58:22 PM VAR5 
2 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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