ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004368
RECORD_TITLE: 1-(2-OXOPROPYL)-3,4-DIPHENYL-2,5-DIOXABICYCLO(2.1.1)HEXANE; 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$NAME: 1-(2-OXOPROPYL)-3,4-DIPHENYL-2,5-DIOXABICYCLO(2.1.1)HEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H18O3
CH$EXACT_MASS: 294.12559
CH$SMILES: CC(=O)CC(O2)(C1)OC(c(c4)cccc4)1C(c(c3)cccc3)2
CH$IUPAC: InChI=1S/C19H18O3/c1-14(20)12-18-13-19(22-18,16-10-6-3-7-11-16)17(21-18)15-8-4-2-5-9-15/h2-11,17H,12-13H2,1H3
CH$LINK: INCHIKEY OQDWTZZQZLFWHR-UHFFFAOYSA-N
AC$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: splash10-0f9f-7900000000-2f2ba8b696377f0b3fdc
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  43 99.99 999
  44 3.92 39
  50 4.15 42
  51 18.28 183
  52 2.55 26
  58 2.91 29
  63 5.32 53
  64 2.15 22
  65 4.93 49
  68 2.84 28
  69 15.11 151
  75 3.17 32
  76 5.61 56
  77 57.54 575
  78 9.04 90
  79 17.85 179
  85 4.67 47
  89 7.28 73
  90 4.86 49
  91 11.55 116
  102 9.53 95
  103 60.35 604
  104 9.14 91
  105 7.79 78
  106 7.6 76
  107 16.15 162
  115 7.21 72
  116 4.24 42
  117 25 250
  118 7.93 79
  128 2.25 23
  131 5.74 57
  145 9.17 92
  146 3.62 36
  147 2.61 26
  152 5.65 57
  159 3.75 38
  160 44.16 442
  161 6.59 66
  165 9.79 98
  166 3.95 40
  167 6.33 63
  178 2.87 29
  187 3.52 35
  188 51.6 516
  189 10.51 105
  191 4.83 48
  192 2.84 28
//
