ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005100
RECORD_TITLE: 5-HEXYL-2-METHYLPYRIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 5-HEXYL-2-METHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₉N
CH$EXACT_MASS: 177.15175
CH$SMILES: CCCCCCc(c1)cnc(C)c1
CH$IUPAC: InChI=1S/C12H19N/c1-3-4-5-6-7-12-9-8-11(2)13-10-12/h8-10H,3-7H2,1-2H3
CH$LINK: INCHIKEY CVQOAKGVDNOWHA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2051392

AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-2900000000-3e3fd02e66380380ebbe
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  39 5.8 58
  41 6.5 65
  42 1.7 17
  43 0.69 7
  51 2.5 25
  52 1.9 19
  53 3.7 37
  55 0.16 2
  65 4.4 44
  66 1.5 15
  77 14.8 148
  78 0.43 4
  79 8.8 88
  80 1.4 14
  91 3.5 35
  92 0.26 3
  93 2.9 29
  94 1.7 17
  104 1.4 14
  105 0.27 3
  106 99.99 999
  107 35.7 357
  108 3 30
  117 0.29 3
  118 1.8 18
  119 4.8 48
  120 35.8 358
  121 0.71 7
  130 1 10
  131 1.3 13
  132 5.8 58
  133 0.12 1
  134 13.4 134
  135 3.6 36
  148 4.4 44
  149 0.1 1
  162 1.6 16
  175 2.3 23
  176 4.8 48
  177 2.27 23
  178 0.36 4
//