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Details of NA180001 (classified unknown)

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Role	Analyte
name	NA180001 (classified unknown)
MPIMP ID	A180001
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)	1,776.22
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%277a417e09-31f8-4aa5-a885-f15c17c8edfa%27)

Synonyms of NA180001 (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 NA180001 (classified unknown)

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

Reference spectra of NA180001 (classified unknown)

replica	entry date	method	species
4	1/7/2011 10:54:41 AM	VAR5
1	10/1/2001 12:00:00 AM	M[EIGTMS]	Standard Addition
2	11/26/2004 12:00:00 AM	M[FAME4090]	Standard
3	12/10/2010 9:15:43 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.

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