ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006010
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9400000000-30c893ce62dd159ecda4
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  15 5.06 51
  29 11.04 110
  31 0.41 4
  32 0.78 8
  39 12.84 128
  40 3.33 33
  41 34.23 342
  42 3.26 33
  43 99.99 999
  44 2.44 24
  45 0.31 3
  50 0.34 3
  51 1.6 16
  52 1.29 13
  53 10.49 105
  54 2.34 23
  55 17.76 178
  56 2.31 23
  57 1.56 16
  58 1.05 11
  65 2.34 23
  66 1.63 16
  67 14.67 147
  68 24.82 248
  69 11.44 114
  70 1.36 14
  71 2 20
  72 2.89 29
  77 4.48 45
  78 1.29 13
  79 23.7 237
  80 10.8 108
  81 20.27 203
  82 8.73 87
  83 4.01 40
  84 1.66 17
  85 0.75 8
  86 1.05 11
  91 4.34 43
  92 10.02 100
  93 51.07 511
  94 25.98 260
  95 12.19 122
  96 1.77 18
  97 6.52 65
  98 0.95 10
  99 0.27 3
  105 2.31 23
  106 0.75 8
  107 49.27 493
  108 11.27 113
  109 2.65 27
  110 1.05 11
  111 3.23 32
  112 0.71 7
  119 0.61 6
  120 0.37 4
  121 46.52 465
  122 4.69 47
  123 0.98 10
  135 1.6 16
  136 62 620
  137 7.91 79
  138 0.44 4
  139 0.41 4
  153 0.92 9
  154 5.13 51
  155 0.61 6
  196 3.9 39
  197 0.41 4
//
