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Cotinine
SpectraBase Compound ID BjO3PaODPcS
InChI InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
InChIKey UIKROCXWUNQSPJ-UHFFFAOYSA-N
Mol Weight 176.22 g/mol
Molecular Formula C10H12N2O
Exact Mass 176.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZdMktdeLU0
Name Nicotine-M (cotinine) @
CAS Registry Number 486-56-6
Classification Stimulant
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Exact Mass 176.094963013 u
Formula C10H12N2O
InChI InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
InChIKey UIKROCXWUNQSPJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 176.219 g/mol
SMILES c1ccc(C2N(C)C(=O)CC2)cn1
SPLASH splash10-0002-9400000000-def5ac5eed647da8e404
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: P U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Cotinine
Technique GC/MS
Wiley ID MMPW6e_692