ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002257
RECORD_TITLE: 1,5-DIMETHYL-3-PHENYL-6,7,8-TRIOXABICYCLO(3.2.1)OCTANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,5-DIMETHYL-3-PHENYL-6,7,8-TRIOXABICYCLO(3.2.1)OCTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₆O₃
CH$EXACT_MASS: 220.10994
CH$SMILES: c(c3)ccc(c3)C(C1)CC(C)(O2)OC(C)(O2)1
CH$IUPAC: InChI=1S/C13H16O3/c1-12-8-11(10-6-4-3-5-7-10)9-13(2,14-12)16-15-12/h3-7,11H,8-9H2,1-2H3
CH$LINK: INCHIKEY NACUOFJOIXFQJT-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-014i-3900000000-0de90a07d95b5eaff1d8
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  40 12.09 121
  43 9.33 93
  44 23.25 233
  45 16.9 169
  50 8.28 83
  51 23.14 231
  52 5.58 56
  58 9.39 94
  60 16.62 166
  63 9.72 97
  65 11.82 118
  77 23.75 238
  78 17.95 180
  82 10.38 104
  83 11.82 118
  89 8.06 81
  91 40.11 401
  102 7.12 71
  103 31.1 311
  104 53.97 540
  105 18.83 188
  115 42.98 430
  116 10.77 108
  117 99.99 999
  118 63.81 638
  119 9 90
  127 6.18 62
  128 8.28 83
  129 15.63 156
  130 28.17 282
  137 25.8 258
  145 29.17 292
  146 9.55 96
  147 59.55 596
  148 7.4 74
  158 11.87 119
  159 15.46 155
  160 54.8 548
  161 10.27 103
  162 7.95 80
  204 8.06 81
//