ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001214
RECORD_TITLE: 1,5-DIMETHYL-1-VINYL-4-HEXENYL ACETATE; 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$NAME: 1,5-DIMETHYL-1-VINYL-4-HEXENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(C)=CCCC(C)(C=C)OC(C)=O
CH$IUPAC: InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
CH$LINK: INCHIKEY UWKAYLJWKGQEPM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7026946

AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-006x-9100000000-a199bdb794a1711d64d6
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  15 3.5 35
  17 3 30
  18 1.6 16
  27 1.1 11
  28 12 120
  29 10 100
  39 14 140
  40 0.4 4
  42 4 40
  43 87 870
  44 3 30
  45 0.1 1
  52 2.5 25
  53 1 10
  54 12 120
  55 0.1 1
  56 22 220
  57 1 10
  58 0.5 5
  60 0.2 2
  66 25 250
  67 2 20
  68 1 10
  69 1.6 16
  70 42.5 425
  71 21.5 215
  73 25 250
  78 0.7 7
  79 1 10
  80 13 130
  81 42.5 425
  82 1.4 14
  83 4 40
  84 5 50
  85 2 20
  86 0.25 3
  87 1 10
  90 9 90
  91 17 170
  92 99.99 999
  93 13.5 135
  94 4 40
  95 4 40
  96 0.1 1
  97 1 10
  105 6 60
  106 2 20
  107 1 10
  109 2 20
  110 3 30
  112 4 40
  114 0.2 2
  118 2 20
  120 29.5 295
  121 3 30
  134 1.2 12
  135 3.5 35
  137 1 10
  155 1 10
  196 1 10
//