ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009622
RECORD_TITLE: 4-BIPHENYLYL 3-CHLOROPHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: 4-BIPHENYLYL 3-CHLOROPHENYL KETONE
CH$NAME: 3-CHLORO-4'-PHENYLBENZOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H13ClO
CH$EXACT_MASS: 292.06549
CH$SMILES: Clc(c3)cc(cc3)C(=O)c(c2)ccc(c2)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H13ClO/c20-18-8-4-7-17(13-18)19(21)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H
CH$LINK: INCHIKEY IIMHFJOYSGKNFB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00243531
AC$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: splash10-0f8c-4910000000-51015ceabdcb9d460e32
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  27 1.7 17
  29 2 20
  39 2.9 29
  40 0.1 1
  41 1.1 11
  43 1.2 12
  44 69.3 693
  45 0.21 2
  50 8.2 82
  51 9.8 98
  52 1.2 12
  62 0.11 1
  63 3.9 39
  74 4.7 47
  75 23.8 238
  76 1.08 11
  77 8.4 84
  78 1 10
  85 1.8 18
  87 0.2 2
  89 1 10
  99 1 10
  101 2.9 29
  102 0.38 4
  111 28.7 287
  112 2.2 22
  113 10.3 103
  114 0.15 2
  115 1.3 13
  125 1 10
  126 5.9 59
  127 0.84 8
  128 1.2 12
  132 3.5 35
  133 1.1 11
  139 1.66 17
  140 1.3 13
  141 5.2 52
  150 5 50
  151 1.79 18
  152 67 670
  153 33 330
  154 3.7 37
  181 99.99 999
  182 14.2 142
  183 1.2 12
  226 2.9 29
  227 0.12 1
  228 2.6 26
  257 5 50
  258 1.1 11
  264 0.1 1
  292 30.3 303
  293 6.8 68
  294 9.5 95
  295 1.7 17
//
