ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011372
RECORD_TITLE: 4-ISOPROPYL-3-METHYLENE-1-OXA-3,3A,4,5,6,7,8,8A-OCTAHYDROAZULEN-2(1H)-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-ISOPROPYL-3-METHYLENE-1-OXA-3,3A,4,5,6,7,8,8A-OCTAHYDROAZULEN-2(1H)-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O₂
CH$EXACT_MASS: 208.14633
CH$SMILES: CC(C)C(C2)C(C(=C)1)C(CCC2)OC(=O)1
CH$IUPAC: InChI=1S/C13H20O2/c1-8(2)10-6-4-5-7-11-12(10)9(3)13(14)15-11/h8,10-12H,3-7H2,1-2H3
CH$LINK: INCHIKEY AUGHXHZIGLSKLS-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-053r-9600000000-5e1b189c3cabd5581925
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  52 27.8 278
  54 11.2 112
  55 50.3 503
  56 6.8 68
  57 18 180
  65 5 50
  66 5.5 55
  67 35.2 352
  68 14 140
  69 27.6 276
  71 6 60
  77 9.3 93
  78 5.5 55
  79 22.8 228
  80 6.6 66
  81 31.5 315
  82 99.99 999
  83 18.6 186
  84 8.5 85
  91 16.2 162
  92 6.5 65
  93 24.2 242
  94 8.7 87
  95 25.4 254
  96 15.6 156
  97 13.5 135
  98 7.2 72
  101 10 100
  105 5.4 54
  107 10.1 101
  108 9.6 96
  109 30.3 303
  110 17.9 179
  111 9.2 92
  112 5.2 52
  119 18.9 189
  120 6.8 68
  121 12.6 126
  122 7.8 78
  123 14.3 143
  124 9.7 97
  125 5.5 55
  126 10.1 101
  134 5 50
  135 8 80
  136 22.1 221
  137 20.6 206
  138 13.3 133
  139 5.3 53
  147 15.9 159
  148 5.7 57
  151 7.8 78
  152 9.2 92
  163 7.2 72
  165 19.8 198
  166 9.3 93
  179 5.4 54
  180 14.2 142
  193 7 70
  208 9.2 92
//