ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006479
RECORD_TITLE: ALPHA-TERPINYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALPHA-TERPINYL ACETATE
CH$NAME: P-MENTH-1-EN-8-YL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=O)OC(C)(C)C(C1)CC=C(C)C1
CH$IUPAC: InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
CH$LINK: INCHIKEY IGODOXYLBBXFDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026496

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-006x-9500000000-ffe7aaa2d3a38a8ed5b8
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  15 1.38 14
  18 1.22 12
  27 5.26 53
  28 1.79 18
  29 4.01 40
  31 1.24 12
  39 8.95 90
  40 2.14 21
  41 18.49 185
  42 1.81 18
  43 82.49 825
  44 1.85 19
  45 1.12 11
  51 2.06 21
  52 1.16 12
  53 9.59 96
  54 1.17 12
  55 7.93 79
  57 1.01 10
  59 18.52 185
  65 3.12 31
  66 1.48 15
  67 12.97 130
  68 8.89 89
  69 7.76 78
  71 1.69 17
  77 11.23 112
  78 2.15 22
  79 14.79 148
  80 7.46 75
  81 17.08 171
  82 1.27 13
  91 9.49 95
  92 13.66 137
  93 70.98 710
  94 9.78 98
  95 14.2 142
  96 1.19 12
  101 2.91 29
  105 5.2 52
  106 1.16 12
  107 11.22 112
  108 5.8 58
  109 1.05 11
  119 1.39 14
  121 99.99 999
  122 9.89 99
  123 2.4 24
  136 69.98 700
  137 12.18 122
  138 1.55 16
  139 7.53 75
  181 1.11 11
//