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Details of Nicotinamide (1TMS)

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Role Analyte
nameNicotinamide (1TMS)
MPIMP IDA150004
isotopomerambient
formulaC9H14N2OSi
molecular mass194.306
monoisotopic mass194.08754
InChIInChI=1S/C9H14N2OSi/c1-13(2,3)11-9(12)8-5-4-6-10-7-8/h4-7H,1-3H3,(H,11,12)
InChIKeyVQRBOHGTTOAYTJ-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,490.94
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27c34fedf3-e96c-4d20-8212-273f541e4662%27)

Synonyms of Nicotinamide (1TMS)

Metabolite mapped to Nicotinamide (1TMS)

Reference spectra of Nicotinamide (1TMS)

replicaentry datedetectionmethodspecies
133/30/2011 4:52:37 PM Fiehn_GC_2010 
17/19/2007 11:16:30 AM VAR5Reference Substance
1211/3/2010 4:22:30 PM Schomburg_GC_2010 
27/19/2007 11:16:30 AM VAR5Reference Substance
32/22/2005 12:00:00 AM M[STR] 
178/28/2012 5:51:49 PM MassBank GC 2010 Ara 
57/19/2007 11:16:30 AM MDN35Reference Substance
158/28/2012 5:51:49 PM MassBank GC 2010 Kusano 
611/26/2004 12:00:00 AM M[FAME4090]Standard
77/19/2007 11:16:30 AM MDN35Reference Substance
15 spectrum(a)
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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 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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