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Details of Mandelic acid (2TMS)

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Role Analyte
nameMandelic acid (2TMS)
MPIMP IDA147020
isotopomerambient
formulaC14H24O3Si2
molecular mass296.510
monoisotopic mass296.12640
InChIInChI=1S/C14H24O3Si2/c1-18(2,3)16-13(12-10-8-7-9-11-12)14(15)17-19(4,5)6/h7-11,13H,1-6H3
InChIKeyQGQNCTUAZAEYNK-UHFFFAOYSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,461.65
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%271231e4d5-23d9-4dee-896a-febe66a5247e%27)

Synonyms of Mandelic acid (2TMS)

propertyvalue
ChemSpider ID522940
PubChem CID601545
synonymB001251
synonymMandelic acid (2TMS)
4 synonym(s)

Metabolite mapped to Mandelic acid (2TMS)

metabolitestereoisomerisotopomer
Mandelic acidDL- ambient
1 metabolite(s)

Reference spectra of Mandelic acid (2TMS)

replicaentry datedetectionmethodspecies
33/30/2011 4:52:37 PM Fiehn_GC_2010 
48/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
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.
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