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Details of Furan-2-carboxylic acid (1TMS)

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Role	Analyte
name	Furan-2-carboxylic acid (1TMS)
MPIMP ID	A114014
isotopomer	ambient
formula
molecular mass
monoisotopic mass
InChI	InChI=1S/C8H12O3Si/c1-12(2,3)11-8(9)7-5-4-6-10-7/h4-6H,1-3H3
InChIKey	XMEORGBWULGDAQ-UHFFFAOYSA-N
substructure TMS
substructure TBS
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)	1,133.08
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27528852e1-8b17-4a42-a0cb-28ffd544453b%27)

Synonyms of Furan-2-carboxylic acid (1TMS)

property	value
ChemSpider ID	504831
Manual Interpretation [JKopka]	2-Furancarboxylic acid (1TMS)\|JKopka\|C8H12O3Si\|authenticated reference required\|METB:C5H4O3
synonym	[6919] 2-furoic acid [8.073]
3 synonym(s)

Metabolite mapped to Furan-2-carboxylic acid (1TMS)

metabolite	stereoisomer	isotopomer
Furan-2-carboxylic acid		ambient
1 metabolite(s)

Reference spectra of Furan-2-carboxylic acid (1TMS)

replica	entry date	method
1	3/30/2011 4:52:37 PM	Fiehn_GC_2010
2	4/20/2011 2:43:02 PM	VAR5
2 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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