ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011110
RECORD_TITLE: 4,4'-DICHLOROBENZOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4,4'-DICHLOROBENZOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₈Cl₂O
CH$EXACT_MASS: 249.99522
CH$SMILES: Clc(c2)ccc(c2)C(=O)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
CH$LINK: CAS 90-98-2
CH$LINK: INCHIKEY OKISUZLXOYGIFP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3037626

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$SPLASH: splash10-0gw0-3920000000-326f472a1b8765742345
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  27 1.13 11
  50 11.81 118
  51 5.26 53
  61 1.15 12
  63 1.14 11
  73 1.63 16
  74 8.76 88
  75 32.64 326
  76 8.85 89
  77 1.29 13
  84 1.17 12
  85 4.33 43
  87 1.62 16
  93 1.15 12
  104 1.46 15
  110 1.5 15
  111 44.46 445
  112 5.26 53
  113 14.09 141
  114 1 10
  139 99.99 999
  140 7.87 79
  141 32.59 326
  142 2.49 25
  150 1.46 15
  151 1.5 15
  152 2.85 29
  215 6.71 67
  216 1.24 12
  217 2.25 23
  250 24.12 241
  251 3.52 35
  252 15.51 155
  253 2.26 23
  254 2.7 27
//