ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009484
RECORD_TITLE: DIBENZOSUBERANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: DIBENZOSUBERANE
CH$NAME: 10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄
CH$EXACT_MASS: 194.10955
CH$SMILES: c(c3)cc(C1)c(c3)Cc(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C15H14/c1-3-7-14-11-15-8-4-2-6-13(15)10-9-12(14)5-1/h1-8H,9-11H2
CH$LINK: CAS 833-48-7
CH$LINK: COMPTOX DTXSID10232254
CH$LINK: INCHIKEY PJQCANLCUDUPRF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:70029

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-002f-1900000000-0f7b60ace7319624a78a
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  18 2.55 26
  27 3.8 38
  39 5.91 59
  50 2.16 22
  51 4.99 50
  52 1.42 14
  62 1.65 17
  63 6.23 62
  64 1.19 12
  65 3.08 31
  74 1.45 15
  75 1.91 19
  76 3.33 33
  77 4.76 48
  78 3.72 37
  82 1.79 18
  83 3.49 35
  87 1.45 15
  88 1.7 17
  89 11.46 115
  90 2.4 24
  91 6 60
  95 2.1 21
  96 4.4 44
  97 1.28 13
  102 2.13 21
  103 2.75 28
  115 24.34 243
  116 22.08 221
  117 7.18 72
  121 1.08 11
  126 1.42 14
  127 1.8 18
  128 5.77 58
  129 1.06 11
  139 3.84 38
  141 1.94 19
  150 1.46 15
  151 3.05 31
  152 8.86 89
  153 3.05 31
  163 3 30
  164 2.44 24
  165 19.96 200
  166 6.36 64
  167 1.94 19
  176 4.28 43
  177 4.12 41
  178 43.43 434
  179 57.19 572
  180 9.13 91
  187 1.1 11
  188 1 10
  189 9.03 90
  190 3.66 37
  191 9.62 96
  192 6.18 62
  193 52.84 528
  194 99.99 999
  195 15.94 159
  196 1.2 12
//