MassBank Record: KO003603



 (-)-Nicotine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003603
RECORD_TITLE: (-)-Nicotine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID N016

CH$NAME: Nicotine CH$NAME: (S)-3-(1-methylpyrrolidin-2-yl)pyridine CH$NAME: (-)-Nicotine CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H14N2 CH$EXACT_MASS: 162.11570 CH$SMILES: CN(C2)C(CC2)c(c1)cncc1 CH$IUPAC: InChI=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 CH$LINK: CAS 54-11-5 CH$LINK: CHEBI 17688 CH$LINK: KEGG C00745 CH$LINK: NIKKAJI J9.266E CH$LINK: PUBCHEM SID:4007 CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01q9-0900000000-926940dd7f4851dbd73b PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 38.900 49505.0 1 40.600 84158.5 1 44.100 955446.5 3 46.000 44554.5 1 55.000 54455.5 1 57.900 84158.5 1 70.100 500000.5 2 71.800 59406.0 1 74.100 39604.0 1 78.000 64356.5 1 79.200 69307.0 1 80.200 13396053.0 42 81.000 49505.0 1 81.900 227723.0 1 84.200 28584187.0 89 87.800 34653.5 1 89.100 69307.0 1 91.200 138614.0 1 92.100 470297.5 1 94.100 3212874.5 10 95.900 89109.0 1 99.000 84158.5 1 100.000 99010.0 1 102.900 143564.5 1 103.800 39604.0 1 105.500 1589110.5 5 106.100 102178320.0 320 108.200 133663.5 1 110.000 94059.5 1 113.600 49505.0 1 114.400 202970.5 1 115.300 2084160.5 7 117.200 31782210.0 99 118.300 247525.0 1 119.200 168317.0 1 120.200 36094095.5 113 128.000 173267.5 1 130.100 151217973.0 473 132.100 222604183.0 697 134.200 623763.0 2 144.000 39604.0 1 146.300 643565.0 2 161.300 34653.5 1 163.300 319119131.0 999 //