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Details of Mandelic acid, 3,4-dihydroxy- (4TMS)

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Role Analyte
nameMandelic acid, 3,4-dihydroxy- (4TMS)
MPIMP IDA191013
isotopomerambient
formulaC20H40O5Si4
molecular mass472.871
monoisotopic mass472.19528
InChIInChI=1S/C20H40O5Si4/c1-26(2,3)22-17-14-13-16(15-18(17)23-27(4,5)6)19(24-28(7,8)9)20(21)25-29(10,11)12/h13-15,19H,1-12H3
InChIKeyMDAKQGIALDYWHV-UHFFFAOYSA-N
substructure TMS4
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,910.6
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%279a278979-2e89-4719-ae79-5b4b899c41cf%27)

Synonyms of Mandelic acid, 3,4-dihydroxy- (4TMS)

propertyvalue
ChemSpider ID461860
PubChem CID530207
synonymB000700
synonymMandelic acid, 3,4-dihydroxy- (4TMS)
4 synonym(s)

Metabolite mapped to Mandelic acid, 3,4-dihydroxy- (4TMS)

Reference spectra of Mandelic acid, 3,4-dihydroxy- (4TMS)

replicaentry datedetectionmethodspecies
33/30/2011 4:52:37 PM Fiehn_GC_2010 
48/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference Substance
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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