ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006012
RECORD_TITLE: DIHYDROCARVENYL ACETATE(EQUATORIAL); 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$NAME: DIHYDROCARVENYL ACETATE(EQUATORIAL)
CH$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-/m1/s1
CH$LINK: INCHIKEY TUSIZTVSUSBSQI-QEWOUOOISA-N
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9400000000-0ac164b598b2cc6a7b08
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  15 5.49 55
  27 12.98 130
  28 7.69 77
  29 15.27 153
  30 0.42 4
  31 0.71 7
  32 1.83 18
  38 0.4 4
  39 18.79 188
  40 5.18 52
  41 44.06 441
  42 4.45 45
  43 96.98 970
  44 2.07 21
  45 0.71 7
  50 0.84 8
  51 2.82 28
  52 1.39 14
  53 15.51 155
  54 3.15 32
  55 24.63 246
  56 2.64 26
  57 1.94 19
  58 0.99 10
  59 0.31 3
  60 0.18 2
  61 0.44 4
  63 0.66 7
  65 3.7 37
  66 2.38 24
  67 24.79 248
  68 29.98 300
  69 13.2 132
  70 1.5 15
  71 1.83 18
  72 3.5 35
  73 0.18 2
  77 6.96 70
  78 1.72 17
  79 44.79 448
  80 9.21 92
  81 23.31 233
  82 14.43 144
  83 5.02 50
  84 1.7 17
  85 0.84 8
  91 6.06 61
  92 5.64 56
  93 65.9 659
  94 25.75 258
  95 16.26 163
  96 2.25 23
  97 5.24 52
  98 0.71 7
  105 3.33 33
  106 1.17 12
  107 70.7 707
  108 23.31 233
  109 5.49 55
  110 1.94 19
  111 2.16 22
  112 0.44 4
  119 1.01 10
  120 0.82 8
  121 62.77 628
  122 6.59 66
  123 0.9 9
  135 2.23 22
  136 99.99 999
  137 13.17 132
  138 0.71 7
  139 0.24 2
  152 3.48 35
  153 0.84 8
  154 3.39 34
  155 0.42 4
//
