GOLM METABOLOME DATABASE

- home
- search
- ms analysis
  - library search
  - prediction
- GoBioSpace
- blog
- thanks to
- publications
- imprint
- privacy policy
- contact
- help

The GMD web site use latest HTML5 features! This message indicates backward compatibility problems in GMD's mass spectra, chemical compound structure and metabolite profile visualizations. As your browser does not support the HTML5 <canvas> element, please consider to upgrade to a HTML5 ready web browser, including Microsoft Internet Explorer, Mozilla Firefox, Apple Safari, Google Chrome and Opera, to fully enjoy GMD's functionalities!

Details of NA176004 (classified unknown)

rotate: click+drag; translate: alt+click+drag; zoom: mousewheel; save: mol

Role	Analyte
name	NA176004 (classified unknown)
MPIMP ID	A176004
isotopomer	ambient
formula
molecular mass
monoisotopic mass
InChI
InChIKey
substructure TMS	3
substructure TBS	0
substructure H3ON	2
substructure CH3O	0
retention index (VAR5 method, n-alkanes C10–C36)	1,741.8
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%274900c503-a33a-4b79-b743-9e5823f3a972%27)

Synonyms of NA176004 (classified unknown)

property	value
Experiment [JKopka]	HTR_Glucose
Manual Interpretation [JKopka]	Deoxyhexodiulose (2MEOX) (3TMS)\|JKopka\|C17H40N2O5Si3\|authenticated reference required\|METB:C6H10O5
synonym	possible identification [4,5,6-Trihydroxy-oxo-hexanal (2MEOX) (3TMS)\|C17H40N2O5Si3]
synonym	possible identification [C6H10O5 (2MEOX) (3TMS)\|C17H40N2O5Si3]
synonym	possible identification [Deoxyhexodiulose (2MEOX) (3TMS)\|C17H40N2O5Si3]
5 synonym(s)

Metabolite mapped to NA176004 (classified unknown)

metabolite	stereoisomer	isotopomer
3-Deoxyglucosone	4S,5R	ambient
1 metabolite(s)

Reference spectra of NA176004 (classified unknown)

replica	entry date	method	species
1	10/1/2001 12:00:00 AM	M[EIGTMS]	Standard Addition
4	1/7/2011 10:55:42 AM	VAR5
2	11/26/2004 12:00:00 AM	M[FAME4090]	Standard
3	12/10/2010 9:14:25 AM	VAR5
4 spectrum(a)

compound timestamp information
deposited	at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, 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	Kopka J., Hummel J.

Show all analytes

Top