ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007937
RECORD_TITLE: 8-AZA-8-PHENYL-6,7-BENZO-BICYCLO(3,2,1)-3-EN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 8-AZA-8-PHENYL-6,7-BENZO-BICYCLO(3,2,1)-3-EN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₃NO
CH$EXACT_MASS: 247.09971
CH$SMILES: c(c4)ccc(c4)N(C31)C(C(=O)C=C3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C17H13NO/c19-16-11-10-15-13-8-4-5-9-14(13)17(16)18(15)12-6-2-1-3-7-12/h1-11,15,17H
CH$LINK: INCHIKEY HBVLHVPIKRRHKB-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-05mp-3890000000-706eb2e6e799b5e4e8a2
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  51 18.07 181
  52 1.91 19
  62 1.9 19
  63 6.83 68
  64 2.01 20
  65 2.16 22
  74 1.73 17
  75 2.83 28
  76 3.82 38
  77 19.14 191
  78 1.87 19
  82 1.1 11
  83 1.02 10
  84 1.39 14
  87 1.18 12
  88 1.99 20
  89 13.27 133
  90 16.18 162
  91 2.72 27
  94 1.77 18
  96 4.84 48
  101 1.91 19
  102 5.82 58
  103 5.99 60
  104 2.34 23
  107 1.89 19
  108 19.71 197
  109 4.94 49
  110 3.82 38
  113 1.57 16
  114 2.15 22
  115 10.3 103
  116 7.42 74
  117 1.76 18
  124 2.89 29
  126 1.4 14
  127 5.26 53
  128 8.28 83
  129 1.04 10
  139 1.5 15
  140 2.3 23
  144 3.96 40
  152 1.06 11
  153 1.07 11
  155 3.23 32
  163 1.69 17
  164 2.52 25
  165 22.33 223
  166 5.59 56
  167 1.42 14
  178 1.24 12
  189 2.23 22
  190 3.21 32
  191 3.63 36
  192 10.16 102
  193 99.99 999
  194 16.08 161
  195 1.26 13
  204 1.96 20
  206 86.08 861
  207 14.64 146
  208 1.28 13
  216 4.44 44
  217 13.79 138
  218 50.02 500
  219 27.03 270
  220 3.86 39
  230 2.18 22
  246 3.32 33
  247 69.23 692
  248 13.53 135
  249 1.55 16
//