ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010826
RECORD_TITLE: NICOTINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: NICOTINE
CH$NAME: 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄N₂
CH$EXACT_MASS: 162.11570
CH$SMILES: CN(C2)C([H])(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: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N
CH$LINK: COMPTOX DTXSID1020930

AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-9800000000-fe889308f7088d47c31d
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  51 2.82 28
  52 1.11 11
  54 2.13 21
  55 1.96 20
  63 2.22 22
  64 1.19 12
  65 5.31 53
  66 1.18 12
  67 2.97 30
  69 1.29 13
  73 1.86 19
  77 1.74 17
  78 3.55 36
  79 1.02 10
  81 1.34 13
  82 3.24 32
  83 1.14 11
  84 99.99 999
  85 6 60
  92 3.78 38
  93 1.13 11
  104 3.06 31
  105 1.27 13
  117 3.85 39
  118 4.51 45
  119 6.32 63
  120 2.76 28
  130 4.8 48
  132 1.84 18
  133 26.27 263
  134 4.04 40
  144 1.01 10
  145 1.49 15
  146 1.64 16
  147 1.49 15
  159 2.16 22
  160 1.23 12
  161 26.04 260
  162 33.56 336
  163 4.21 42
  171 1.14 11
  207 3.49 35
  281 1.18 12
  355 1.01 10
  401 1.3 13
//