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Details of 5-Hydroxymethylfurfural (1MEOX) (1TMS) MP

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Role	Analyte
name	5-Hydroxymethylfurfural (1MEOX) (1TMS) MP
MPIMP ID	A140022
isotopomer	ambient
formula	C10H17NO3Si
molecular mass	227.333
monoisotopic mass	227.09777
InChI	InChI=1S/C10H17NO3Si/c1-12-11-7-9-5-6-10(14-9)8-13-15(2,3)4/h5-7H,8H2,1-4H3/b11-7+
InChIKey	SUOOEVXIEYLYAZ-YRNVUSSQSA-N
substructure TMS
substructure TBS
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)	1,404.94
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%271da4c056-b296-46f5-82df-56af7e7bbcf4%27)

Synonyms of 5-Hydroxymethylfurfural (1MEOX) (1TMS) MP

property	value
Experiment [JKopka]	HTR_Glucose
synonym	5-(Hydroxymethyl)furan-2-carbaldehyde (1MEOX) (1TMS)
synonym	5-Hydroxymethylfurfural (1MEOX) (1TMS) MP
synonym	possible isomer [A133016]
4 synonym(s)

Metabolite mapped to 5-Hydroxymethylfurfural (1MEOX) (1TMS) MP

metabolite	stereoisomer	isotopomer
5-(Hydroxymethyl)furfural		ambient
1 metabolite(s)

Reference spectra of 5-Hydroxymethylfurfural (1MEOX) (1TMS) MP

replica	entry date	method
3	4/20/2011 2:27:27 PM	VAR5
4	4/29/2011 1:50:10 PM	VAR5
1	1/7/2011 10:51:50 AM	VAR5
3 spectrum(a)

compound timestamp information
deposited	at 1/10/2011 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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