MassBank Record: KO003604



 (-)-Nicotine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003604
RECORD_TITLE: (-)-Nicotine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00lr-0900000000-6bccc06d40ab273cf972 PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 39.000 44554.5 1 42.000 54455.5 1 44.100 3722776.0 15 54.200 163366.5 1 58.200 202970.5 1 65.000 173267.5 1 66.900 242574.5 1 68.800 64356.5 1 70.100 871288.0 3 71.900 39604.0 1 73.700 54455.5 1 76.900 628713.5 3 77.800 1326734.0 5 79.100 1222773.5 5 80.000 13084171.5 52 82.100 995050.5 4 84.200 21475269.0 85 88.900 128713.0 1 90.200 455446.0 2 91.200 2198022.0 9 92.100 7648522.5 30 93.100 1504952.0 6 94.100 2128715.0 8 94.700 84158.5 1 96.300 178218.0 1 99.000 19802.0 1 99.900 29703.0 1 101.900 34653.5 1 102.900 2920795.0 12 104.200 306931.0 1 104.900 4896044.5 19 106.100 80084238.5 319 108.100 84158.5 1 110.200 252475.5 1 113.900 118812.0 1 115.100 11504962.0 46 116.100 336634.0 1 117.100 215722988.0 858 118.300 2366339.0 9 119.000 435644.0 2 120.200 35366372.0 141 121.100 24752.5 1 128.200 400990.5 2 129.000 128713.0 1 130.100 251099261.0 999 131.000 4539608.5 18 132.100 81183249.5 323 134.100 450495.5 2 139.900 19802.0 1 144.000 49505.0 1 146.200 183168.5 1 147.900 39604.0 1 161.300 14851.5 1 163.200 8559414.5 34 //