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Details of Mandelic acid, 4-hydroxy-3-methoxy- (3TMS)

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Role Analyte
nameMandelic acid, 4-hydroxy-3-methoxy- (3TMS)
MPIMP IDA186019
isotopomerambient
formulaC18H34O5Si3
molecular mass414.716
monoisotopic mass414.17141
InChIInChI=1S/C18H34O5Si3/c1-20-16-13-14(11-12-15(16)21-24(2,3)4)17(22-25(5,6)7)18(19)23-26(8,9)10/h11-13,17H,1-10H3
InChIKeyQGOJNGYLGCWPKN-UHFFFAOYSA-N
substructure TMS 
substructure TBS 
substructure H3ON 
substructure CH3O 
retention index (VAR5 method, n-alkanes C10–C36)1,868.32
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%272016cd87-5c65-4701-9625-406c82ea6e4f%27)

Synonyms of Mandelic acid, 4-hydroxy-3-methoxy- (3TMS)

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

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

replicaentry datedetectionmethodspecies
48/28/2012 5:51:49 PM MassBank GC 2010 Tsujimoto 
17/19/2007 11:16:30 AM VAR5Reference Substance
27/19/2007 11:16:30 AM MDN35Reference Substance
33/30/2011 4:52:37 PM Fiehn_GC_2010 
56/5/2013 12:39:00 PM MRI_2013 
5 spectrum(a)
compound timestamp information
deposited at 3/28/2011 by Kopka J., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), 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 Kopka J., Hummel J.
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