GOLM METABOLOME DATABASE

Details of Nicotine

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Role Analyte
nameNicotine
MPIMP IDA139002
isotopomerambient
formulaC10H14N2
molecular mass162.232
monoisotopic mass162.11570
InChIInChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
InChIKeySNICXCGAKADSCV-JTQLQIEISA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,369.3
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%270becef6e-178c-4b92-9b7e-7861efc05f4b%27)

Synonyms of Nicotine

propertyvalue
BRENDA961
CAS54-11-5
ChEBI IDChEBI:17688
ChEBI ontologyhas role anxiolytic drug
ChEBI ontologyhas role neurotoxic agent
ChEBI ontologyhas role nicotinic agonist
ChEBI ontologyhas role phytogenic insecticide
ChEBI ontologyhas role teratogenic agent
ChEBI ontologyis a nicotine
ChEBI ontologyis conjugate base of (S)-nicotinium(1+)
30 synonym(s)

Metabolite mapped to Nicotine

metabolitestereoisomerisotopomer
NicotineS- ambient
1 metabolite(s)

Reference spectra of Nicotine

replicaentry datedetectionmethodspecies
15/1/2001 12:00:00 AM M[EIGTMS]Reference Substance
22/1/2002 12:00:00 AM M[2]Standard
33/15/2005 12:00:00 AM M[6]Reference Substance
45/1/2001 12:00:00 AM M[EIGTMS]Nicotiana tabacum
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 10/7/2013 by Fehrle I., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J., Fehrle I.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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