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Details of 3-Indoxyl sulfate; GC-EI-TOF; MS; RT:630.276 sec

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Role	Analyte
name	3-Indoxyl sulfate; GC-EI-TOF; MS; RT:630.276 sec
MPIMP ID	A000487
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)	1,665.72
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27b0fccb93-1f96-46c8-833a-bdc69f10828a%27)

Synonyms of 3-Indoxyl sulfate; GC-EI-TOF; MS; RT:630.276 sec

property	value
Manual Interpretation [JKopka]	Indole, 3-hydroxy- (1TMS)
synonym	3-Indoxyl sulfate; GC-EI-TOF; MS; RT:630.276 sec
2 synonym(s)

Metabolite mapped to 3-Indoxyl sulfate; GC-EI-TOF; MS; RT:630.276 sec

metabolite	stereoisomer	isotopomer
3-Indoxyl sulfate		ambient
1 metabolite(s)

Reference spectra of 3-Indoxyl sulfate; GC-EI-TOF; MS; RT:630.276 sec

replica	entry date	detection	method	species
1	8/28/2012 5:51:49 PM		MassBank GC 2010 Tsujimoto
1 spectrum(a)

compound timestamp information
deposited	at 8/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 8/28/2012 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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