ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006481
RECORD_TITLE: 4-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$NAME: 4-TERPINYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=O)OC(C1)(CC=C(C)C1)C(C)C
CH$IUPAC: InChI=1S/C12H20O2/c1-9(2)12(14-11(4)13)7-5-10(3)6-8-12/h5,9H,6-8H2,1-4H3
CH$LINK: INCHIKEY BFCBRSFYYLSTAA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90884114

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$SPLASH: splash10-0006-9500000000-1b72010f952f5778547f
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 1.59 16
  27 6.19 62
  29 3.02 30
  39 5.76 58
  40 1.18 12
  41 17.87 179
  42 1.92 19
  43 52.53 525
  51 1.81 18
  53 7.48 75
  55 5.24 52
  61 1.93 19
  65 2.56 26
  67 7.46 75
  68 4.65 47
  69 4.28 43
  71 6.36 64
  77 12.83 128
  78 2.12 21
  79 9.76 98
  80 3.79 38
  81 11.14 111
  82 1.17 12
  86 2.06 21
  91 12.61 126
  92 24.41 244
  93 99.99 999
  94 9.91 99
  95 3.86 39
  105 4.05 41
  106 1.11 11
  107 6.36 64
  108 3.37 34
  110 2.82 28
  111 27.89 279
  112 1.93 19
  119 1.36 14
  121 63.05 631
  122 5.49 55
  136 64.25 643
  137 7.87 79
  153 1.85 19
  154 1.02 10
//