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Details of Nicotinic acid (1TMS)

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Role Analyte
nameNicotinic acid (1TMS)
MPIMP IDA133004
isotopomerambient
formulaC9H13NO2Si
molecular mass195.291
monoisotopic mass195.07156
InChIInChI=1S/C9H13NO2Si/c1-13(2,3)12-9(11)8-5-4-6-10-7-8/h4-7H,1-3H3
InChIKeyPYFBRRMHOWLGJH-UHFFFAOYSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,301.8
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%272213962b-6eee-49b2-b678-169c6a1ee3f4%27)

Synonyms of Nicotinic acid (1TMS)

Metabolite mapped to Nicotinic acid (1TMS)

Reference spectra of Nicotinic acid (1TMS)

replicaentry datedetectionmethodspecies
218/28/2012 5:51:49 PM MassBank GC 2010 Ara 
27/19/2007 11:16:30 AM VAR5Reference Substance
1711/3/2010 4:22:31 PM Schomburg_GC_2010 
183/30/2011 4:52:37 PM Fiehn_GC_2010 
55/12/2005 12:00:00 AM M[NIST] 
611/26/2004 12:00:00 AM M[FAME4090]Standard
89/1/2001 12:00:00 AM M[2]Standard Addition
95/12/2005 12:00:00 AM M[NIST] 
101/25/2005 12:00:00 AM M[MOR] 
228/28/2012 5:51:49 PM MassBank GC 2010 Ara 
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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