ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004365
RECORD_TITLE: 5-METHYL-1-PHENYL-6,8-DIOXABICYCLO(3.2.1)OCTAN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAGIWARA H, CHEM. RES. INST. OF NON-AQUEOUS SOLUTIONS, TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-METHYL-1-PHENYL-6,8-DIOXABICYCLO(3.2.1)OCTAN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₄O₃
CH$EXACT_MASS: 218.09429
CH$SMILES: O=C(C2)CC(C3)(OC(C)2O3)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H14O3/c1-12-7-11(14)8-13(16-12,9-15-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
CH$LINK: INCHIKEY JHIJFTFLTBMQRN-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$SPLASH: splash10-052f-8900000000-8e922e1328311fcbfdcb
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 7.4 74
  27 6.7 67
  28 7.45 75
  39 1.68 17
  41 12.02 120
  42 9.81 98
  43 99.99 999
  50 6.78 68
  51 22.07 221
  63 5.76 58
  65 9.34 93
  69 5.35 54
  76 5.24 52
  77 48.07 481
  78 8.5 85
  91 20.53 205
  99 10.22 102
  102 7.51 75
  103 29.92 299
  104 7.44 74
  105 79.74 797
  106 6.64 66
  115 16.74 167
  116 0.55 6
  117 8 80
  133 11.6 116
  134 44.74 447
  135 4.58 46
  158 52.25 523
  159 7.94 79
  160 9.38 94
  161 8.76 88
  176 4.03 40
  188 9.5 95
  218 7.59 76
//