ACCESSION: MSBNK-RIKEN_ReSpect-PT101360
RECORD_TITLE: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine, beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QTOF; MS2
DATE: 2008.07.24
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CH$NAME: beta-Pyridyl-alpha-N-methylpyrrolidine
CH$NAME: (-)-Nicotine
CH$COMPOUND_CLASS: CLASS1 Alkaloid CLASS2 Nicotine CLASS3 Other
CH$FORMULA: C₁₀H₁₄N₂
CH$EXACT_MASS: 162.236
CH$SMILES: CN1CCCC1C2=CN=CC=C2
CH$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
CH$LINK: INCHIKEY SNICXCGAKADSCV-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 163.12349

PK$SPLASH: splash10-001i-0900000000-09e9b29571abf3a52e44
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  80.0522 333.0 110
  84.0835 590.7 195
  106.0683 1101.0 363
  117.0606 2236.0 738
  120.0846 515.8 170
  130.0683 3026.0 999
  132.0837 2315.0 764
  163.1235 2584.0 853
//