MassBank Record: KO003605



 (-)-Nicotine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003605
RECORD_TITLE: (-)-Nicotine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0159-2900000000-1e50e1cd59e45e211535 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 28.600 19802.0 1 30.100 39604.0 1 39.100 69307.0 1 40.900 108911.0 1 42.200 198020.0 1 44.100 5138619.0 25 51.000 54455.5 1 53.000 331683.5 2 54.400 366337.0 2 55.400 54455.5 1 56.100 84158.5 1 57.100 84158.5 1 58.200 227723.0 1 65.100 3232676.5 16 66.000 163366.5 1 67.100 564357.0 3 68.300 89109.0 1 69.000 84158.5 1 70.100 811882.0 4 72.000 24752.5 1 73.900 24752.5 1 77.100 8806939.5 43 77.900 8371295.5 40 79.100 4806935.5 23 80.200 10712882.0 52 82.200 1267328.0 6 84.100 10663377.0 52 85.900 24752.5 1 89.100 1871289.0 9 90.200 10242584.5 50 91.200 4232677.5 20 91.900 15955461.5 77 93.200 5222777.5 25 94.100 811882.0 4 95.300 668317.5 3 96.200 742575.0 4 100.500 49505.0 1 101.800 376238.0 2 103.200 17519819.5 85 104.000 579208.5 3 105.100 3539607.5 17 106.100 34356470.0 166 107.500 64356.5 1 110.300 485149.0 2 115.300 7856443.5 38 116.300 905941.5 4 117.200 206604167.0 999 118.300 3935647.5 19 119.300 391089.5 2 120.200 8678226.5 42 128.200 2272279.5 11 129.300 455446.0 2 130.100 118727841.5 574 131.000 3227726.0 16 131.900 6000006.0 29 134.100 103960.5 1 142.400 14851.5 1 143.600 44554.5 1 146.100 168317.0 1 162.900 44554.5 1 //