ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007161
RECORD_TITLE: DIHYDROCARVYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: DIHYDROCARVYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=O)OC([H])(C1)C([H])(C)CCC([H])(C(C)=C)1
CH$IUPAC: InChI=1S/C12H20O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h9,11-12H,1,5-7H2,2-4H3/t9-,11-,12-/m1/s1
CH$LINK: INCHIKEY TUSIZTVSUSBSQI-YUSALJHKSA-N
CH$LINK: COMPTOX DTXSID80205899

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$SPLASH: splash10-0006-9400000000-aaf83a734714670b7834
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  15 2.63 26
  27 7.97 80
  29 9.47 95
  39 13.36 134
  40 2.76 28
  41 31.65 317
  42 3.76 38
  43 99.99 999
  44 2.09 21
  45 1.04 10
  51 1.59 16
  53 10.73 107
  54 2.17 22
  55 17.54 175
  56 2.02 20
  57 1.91 19
  65 2.66 27
  66 1.83 18
  67 18.41 184
  68 22.45 225
  69 10.69 107
  70 1.53 15
  71 2.01 20
  72 2.31 23
  77 4.79 48
  78 1.55 16
  79 28.93 289
  80 11.81 118
  81 21.53 215
  82 8.05 81
  83 3.43 34
  84 2.11 21
  85 1.1 11
  91 5.73 57
  92 11.35 114
  93 57.52 575
  94 27.7 277
  95 14.27 143
  96 2.22 22
  97 6.96 70
  105 2.6 26
  106 1.08 11
  107 58.15 582
  108 13.78 138
  109 2.96 30
  110 1.3 13
  111 3.2 32
  121 53.74 537
  122 4.74 47
  123 1.06 11
  135 1.59 16
  136 58.39 584
  137 7.65 77
  154 4.4 44
  196 1.94 19
//