ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006305
RECORD_TITLE: EPOXYVULGARONE A; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: EPOXYVULGARONE A
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₂O₂
CH$EXACT_MASS: 234.16198
CH$SMILES: CC(C)(C4)C(C32)C(C(=O)1)C(C)(CC4)C1C(C)(O3)2
CH$IUPAC: InChI=1S/C15H22O2/c1-13(2)6-5-7-14(3)8-9(13)12-15(4,17-12)11(14)10(8)16/h8-9,11-12H,5-7H2,1-4H3
CH$LINK: INCHIKEY OQTBYTAMNHCEOE-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-0a4i-9800000000-1700166005fc5b00521a
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  40 17.5 175
  41 81 810
  42 14.5 145
  43 3.7 37
  50 3.5 35
  51 11 110
  52 8 80
  53 2.95 30
  54 9 90
  55 44 440
  56 48 480
  57 0.8 8
  63 6 60
  64 5 50
  65 23 230
  66 0.95 10
  67 33 330
  68 11 110
  69 31 310
  70 0.5 5
  71 4 40
  77 45 450
  78 14.5 145
  79 4.9 49
  80 12.5 125
  81 52 520
  82 14 140
  83 1 10
  84 5.5 55
  85 9 90
  89 4 40
  91 7 70
  92 14 140
  93 38 380
  94 14 140
  95 5.2 52
  96 13 130
  97 6 60
  98 9 90
  103 0.95 10
  104 6 60
  105 59 590
  106 99.99 999
  107 7.9 79
  108 32 320
  109 29 290
  110 7 70
  111 0.6 6
  115 9 90
  116 4.5 45
  117 7 70
  118 0.55 6
  119 91 910
  120 35 350
  121 39 390
  122 1.7 17
  123 9 90
  124 6 60
  128 6 60
  129 0.45 5
  130 4 40
  131 7 70
  132 4.5 45
  133 1.75 18
  134 11 110
  135 22 220
  136 7 70
  137 4.3 43
  138 7 70
  145 11.5 115
  146 3 30
  147 2.45 25
  148 8 80
  149 9.5 95
  150 4 40
  151 0.8 8
  161 5 50
  162 3 30
  163 6.5 65
  173 0.5 5
  175 14.5 145
  176 5 50
  190 26 260
  191 1 10
  206 6.5 65
  207 1.5 15
  219 6.5 65
  220 0.25 3
  234 6.5 65
  235 2.5 25
//