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Details of Trigonelline (1TMS)

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Role	Analyte
name	Trigonelline (1TMS)
MPIMP ID	A151023
isotopomer	ambient
formula	C10H16NO2Si
molecular mass	210.325
monoisotopic mass	210.09503
InChI	InChI=1S/C10H16NO2Si/c1-11-7-5-6-9(8-11)10(12)13-14(2,3)4/h5-8H,1-4H3
InChIKey	WPSPCWSMMQGEFH-UHFFFAOYSA-N
substructure TMS
substructure TBS
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)	1,513.09
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27c7121fb9-c2f8-43a6-a9ef-dc9fc0be0c76%27)

Synonyms of Trigonelline (1TMS)

property	value
synonym	Trigonelline (1TMS)
1 synonym(s)

Metabolite mapped to Trigonelline (1TMS)

metabolite	stereoisomer	isotopomer
Trigonelline	no	ambient
1 metabolite(s)

Reference spectra of Trigonelline (1TMS)

replica	entry date	detection	method	species
1	4/8/2010 2:22:32 PM		VAR5	Brassica oleracea
1 spectrum(a)

compound timestamp information
deposited	at 4/8/2010 by Strehmel N., 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 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

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