ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005093
RECORD_TITLE: 5-(1-HEXYNYL)-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$NAME: 5-(1-HEXYNYL)-2-METHYLPYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅N
CH$EXACT_MASS: 173.12045
CH$SMILES: CCCCC#Cc(c1)cnc(C)c1
CH$IUPAC: InChI=1S/C12H15N/c1-3-4-5-6-7-12-9-8-11(2)13-10-12/h8-10H,3-5H2,1-2H3
CH$LINK: INCHIKEY AEDCDTVCGSTPMW-UHFFFAOYSA-N

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$SPLASH: splash10-0ac3-3900000000-e44fdf3034ab60feb7e1
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
  38 1.3 13
  39 11.8 118
  40 2 20
  41 1.12 11
  42 2.4 24
  43 4.7 47
  50 5.9 59
  51 1.29 13
  52 4.7 47
  53 4.7 47
  55 1.4 14
  57 0.22 2
  61 1.4 14
  62 4.7 47
  63 19.6 196
  64 0.41 4
  65 7.7 77
  66 1.6 16
  67 2 20
  74 0.31 3
  75 6.5 65
  76 8.3 83
  77 35.3 353
  78 0.71 7
  79 3.9 39
  80 3.5 35
  81 3 30
  87 0.3 3
  88 2.2 22
  89 9.5 95
  90 5.9 59
  91 0.95 10
  92 3 30
  93 5.3 53
  94 3 30
  101 0.31 3
  102 11.3 113
  103 13.8 138
  104 7.1 71
  105 0.24 2
  106 5.9 59
  107 5.9 59
  114 1.2 12
  115 1.18 12
  116 6.5 65
  117 25.5 255
  118 5.9 59
  119 0.47 5
  120 3 30
  121 2 20
  124 3 30
  127 0.18 2
  128 7.1 71
  129 5.9 59
  130 76.5 765
  131 2.75 28
  132 15.7 157
  133 2.4 24
  137 1.2 12
  141 0.2 2
  142 4.7 47
  143 15.7 157
  144 35.3 353
  145 1.18 12
  146 3.5 35
  156 3.5 35
  157 9.8 98
  158 99.99 999
  159 13.8 138
  160 1.1 11
  170 1.4 14
  171 0.14 1
  172 25.5 255
  173 52 520
  174 7.8 78
//