ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004575
RECORD_TITLE: 7-HYDROXYOCTAHYDRO-3-METHYLENE-1-BENZOFRAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 7-HYDROXYOCTAHYDRO-3-METHYLENE-1-BENZOFRAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O₃
CH$EXACT_MASS: 168.07864
CH$SMILES: OC(C2)C(O1)C(CC2)C(=C)C(=O)1
CH$IUPAC: InChI=1S/C9H12O3/c1-5-6-3-2-4-7(10)8(6)12-9(5)11/h6-8,10H,1-4H2
CH$LINK: INCHIKEY LBZLIYFBRVMLEG-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-HX-100
AC$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$SPLASH: splash10-0fg6-9200000000-0866512144acd25b25c6
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  38 8.56 86
  39 78.41 784
  40 18.44 184
  41 67.01 670
  42 13.41 134
  43 33.55 336
  44 22.19 222
  45 3.44 34
  50 10.38 104
  51 22.13 221
  52 15.76 158
  53 50.29 503
  54 11.59 116
  55 38.27 383
  56 4.74 47
  57 30.69 307
  58 5.02 50
  63 5.91 59
  65 16.2 162
  66 19.13 191
  67 39.21 392
  68 10.35 104
  69 12.01 120
  70 14.95 150
  71 3.49 35
  77 29.89 299
  78 8.8 88
  79 78.09 781
  80 11.78 118
  81 20.26 203
  82 4.65 47
  83 12.75 128
  84 5.21 52
  91 19.09 191
  93 53.82 538
  94 32.12 321
  95 16.94 169
  96 7.62 76
  97 9.43 94
  98 3.46 35
  105 3.84 38
  107 5.66 57
  109 14.87 149
  111 10.84 108
  112 10.9 109
  121 9.34 93
  122 99.99 999
  123 13.79 138
  124 3.69 37
  139 6.89 69
  150 75.39 754
  151 10.36 104
//