ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004367
RECORD_TITLE: 1,7-DIPHENYL-5-METHYL-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$NAME: 1,7-DIPHENYL-5-METHYL-6,8-DIOXABICYCLO(3.2.1)OCTAN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H18O3
CH$EXACT_MASS: 294.12559
CH$SMILES: c(c4)ccc(c4)C(O1)C(C2)(c(c3)cccc3)OC(C)(CC(=O)2)1
CH$IUPAC: InChI=1S/C19H18O3/c1-18-12-16(20)13-19(22-18,15-10-6-3-7-11-15)17(21-18)14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3
CH$LINK: INCHIKEY YVQCQBZLHIQWKW-UHFFFAOYSA-N
AC$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: splash10-004r-9800000000-1d1805e63e67f5060f65
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  28 99.99 999
  40 1.61 16
  41 5.33 53
  43 3.36 34
  44 1.54 15
  50 1.5 15
  51 6.56 66
  52 1.11 11
  55 1.57 16
  57 2.93 29
  58 1.29 13
  63 1.69 17
  65 1.32 13
  67 2.68 27
  69 6.51 65
  76 0.16 2
  77 23.75 238
  78 3.41 34
  79 5.47 55
  84 1.18 12
  85 27.01 270
  86 1.56 16
  89 2.37 24
  90 1.54 15
  91 3.38 34
  102 4.39 44
  103 28.28 283
  104 4.03 40
  105 37.82 378
  106 3.17 32
  107 5.05 51
  115 2.17 22
  116 1.44 14
  117 12.02 120
  118 3.35 34
  131 1.72 17
  145 4.4 44
  146 1.62 16
  147 1.25 13
  152 1.29 13
  159 1.88 19
  160 22.27 223
  161 2.76 28
  165 2.51 25
  167 1.77 18
  187 1.88 19
  188 42.11 421
  189 6.18 62
  190 1.32 13
  191 2.32 23
//
