ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009715
RECORD_TITLE: NICOTINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01q9-7900000000-1e2c38b5e4e7aae10d37
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  41 1.61 16
  42 18.81 188
  43 1.68 17
  44 4.24 42
  55 6.05 61
  56 1 10
  57 1.11 11
  65 3.17 32
  77 0.96 10
  78 2.52 25
  79 1.46 15
  80 1 10
  81 2.04 20
  82 5.84 58
  83 2.25 23
  84 99.99 999
  85 16.78 168
  91 1.89 19
  92 9.16 92
  93 2.42 24
  104 1.6 16
  105 3 30
  106 2.63 26
  107 1.84 18
  117 3.55 36
  118 7.41 74
  119 14.61 146
  120 4.59 46
  130 5.02 50
  131 1.37 14
  132 2.41 24
  133 63.06 631
  134 8.7 87
  147 1.02 10
  161 33.39 334
  162 48.85 489
  163 6.76 68
//