MassBank Record: KO003606



 (-)-Nicotine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003606
RECORD_TITLE: (-)-Nicotine; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-7900000000-f1781566be5aee88f6ef PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 15.000 14851.5 1 39.300 108911.0 2 41.100 94059.5 2 41.900 133663.5 2 42.900 54455.5 1 44.200 3193072.5 53 51.100 445545.0 7 52.300 34653.5 1 53.300 420792.5 7 54.200 237624.0 4 56.000 94059.5 2 57.200 29703.0 1 58.300 113861.5 2 63.100 94059.5 2 64.300 54455.5 1 65.100 6702977.0 112 66.000 376238.0 6 67.100 797030.5 13 68.200 69307.0 1 69.300 163366.5 3 70.000 376238.0 6 74.900 54455.5 1 77.100 19410910.5 325 78.100 10668327.5 179 79.300 3396043.0 57 80.000 5188124.0 87 81.300 29703.0 1 82.100 826733.5 14 84.200 3252478.5 54 89.100 9579217.5 160 90.100 22401012.5 375 91.100 2524755.0 42 91.900 6603967.0 111 93.200 3638617.5 61 94.200 183168.5 3 95.000 871288.0 15 96.300 524753.0 9 100.900 257426.0 4 102.100 1148516.0 19 103.000 13440607.5 225 104.100 460396.5 8 105.000 698020.5 12 106.100 6599016.5 111 110.300 178218.0 3 115.100 2158418.0 36 116.500 1514853.0 25 117.200 59648574.5 999 118.200 2004952.5 34 119.200 84158.5 1 120.200 559406.5 9 128.000 1485150.0 25 130.200 26762403.0 448 131.000 514852.0 9 131.900 193069.5 3 146.400 54455.5 1 163.000 24752.5 1 //