ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006011
RECORD_TITLE: DIHYDROCARVENYL ACETATE(AXIAL); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DIHYDROCARVENYL ACETATE(AXIAL)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O2
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(=O)OC([H])(C1)C(C)CCC(C(C)=C)1
CH$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-/m0/s1
CH$LINK: INCHIKEY TUSIZTVSUSBSQI-NHNAUAITSA-N
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052o-9800000000-30e0617d4a14b6c95902
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  43 41.46 415
  44 1.03 10
  53 0.86 9
  55 6.62 66
  56 0.46 5
  57 0.63 6
  58 0.46 5
  67 4.45 45
  68 21.07 211
  69 7.14 71
  70 0.63 6
  71 1.6 16
  72 3.54 35
  77 0.63 6
  78 0.57 6
  79 19.36 194
  80 13.14 131
  81 18.22 182
  82 10.34 103
  83 4.4 44
  84 1.83 18
  85 1.09 11
  86 1.14 11
  91 1.6 16
  92 13.14 131
  93 65.22 652
  94 36.26 363
  95 12.85 129
  96 1.94 19
  97 6.74 67
  98 1.09 11
  99 0.51 5
  105 1.14 11
  106 0.63 6
  107 67.28 673
  108 15.48 155
  109 2.8 28
  110 1.43 14
  111 4.05 41
  112 0.86 9
  121 62.25 623
  122 5.6 56
  123 1.03 10
  135 2 20
  136 99.99 999
  137 10.74 107
  138 0.69 7
  153 1.43 14
  154 8.28 83
  155 1.03 10
  196 6.74 67
  197 1.03 10
//
