MassBank Record: KO003602



 (-)-Nicotine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003602
RECORD_TITLE: (-)-Nicotine; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 163 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-440798524836a27b78b4 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 41.100 29703.0 1 45.300 14851.5 1 54.800 44554.5 1 59.200 148515.0 1 70.700 94059.5 1 72.700 257426.0 1 73.300 198020.0 1 76.800 84158.5 1 79.900 400990.5 1 81.200 69307.0 1 81.400 14851.5 1 84.300 1297031.0 1 86.000 44554.5 1 89.000 64356.5 1 90.200 59406.0 1 91.000 49505.0 1 93.800 64356.5 1 99.000 608911.5 1 102.300 34653.5 1 104.700 44554.5 1 105.500 128713.0 1 106.000 7435651.0 6 108.300 44554.5 1 109.100 19802.0 1 113.200 237624.0 1 114.400 351485.5 1 115.000 108911.0 1 116.500 54455.5 1 117.000 2336636.0 2 117.800 99010.0 1 120.300 2386141.0 2 128.400 198020.0 1 130.200 10287139.0 8 131.000 74257.5 1 132.000 19074276.5 14 145.000 198020.0 1 146.100 1128714.0 1 161.900 24752.5 1 163.300 1322090431.0 999 164.200 118812.0 1 //