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Details of Phenylacetic acid (1TMS)

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Role Analyte
namePhenylacetic acid (1TMS)
MPIMP IDA130006
isotopomerambient
formulaC11H16O2Si
molecular mass208.329
monoisotopic mass208.09196
InChIInChI=1S/C11H16O2Si/c1-14(2,3)13-11(12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyWWCXSUHALKENOU-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,302.4
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%277a70799f-8e53-4413-9f39-c5deb000c4b1%27)

Synonyms of Phenylacetic acid (1TMS)

propertyvalue
ChemSpider ID453425
PubChem CID519815
synonymB000820
synonymPhenylacetic acid (1TMS)
4 synonym(s)

Metabolite mapped to Phenylacetic acid (1TMS)

Reference spectra of Phenylacetic acid (1TMS)

replicaentry datedetectionmethodspecies
66/5/2013 12:39:00 PM MRI_2013 
27/19/2007 11:16:30 AM VAR5Reference Substance
37/19/2007 11:16:30 AM MDN35Reference Substance
511/3/2010 4:22:31 PM Schomburg_GC_2010 
4 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.
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