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

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Role	Analyte
name	Mandelic acid, 4-hydroxy- (3TMS)
MPIMP ID	A177033
isotopomer	ambient
formula
molecular mass
monoisotopic mass
InChI
InChIKey
substructure TMS
substructure TBS
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)	1,770.65
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27bb94aa90-d1e0-4385-879b-00030ee22299%27)

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

property	value
synonym	[328] DL-4-hydroxymandelic acid [16.126]
1 synonym(s)

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

metabolite	stereoisomer	isotopomer
DL-4-hydroxymandelic acid		ambient
1 metabolite(s)

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

replica	entry date	method
1	3/30/2011 4:52:37 PM	Fiehn_GC_2010
3	6/5/2013 12:39:00 PM	MRI_2013
2	8/28/2012 5:51:49 PM	MassBank GC 2010 Tsujimoto
3 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 5/29/2013 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
modified by users	Kopka J.

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