ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000964
RECORD_TITLE: 4-BROMOPHENYL PHENYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 4-BROMOPHENYL PHENYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₉BrO
CH$EXACT_MASS: 247.98368
CH$SMILES: c(c2)ccc(c2)Oc(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
CH$LINK: CAS 101-55-3
CH$LINK: INCHIKEY JDUYPUMQALQRCN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8023927

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0f95-9550000000-8818bfd4d6daeeeafd34
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  50 24.4 244
  51 37.3 373
  52 2.4 24
  61 0.21 2
  62 6.5 65
  63 22.5 225
  64 9.2 92
  65 0.92 9
  66 2.9 29
  70 5.5 55
  74 10.1 101
  75 1.68 17
  76 17.6 176
  77 58.5 585
  78 4.3 43
  89 0.21 2
  92 3.3 33
  93 2.1 21
  94 3.3 33
  115 2.93 29
  116 3.2 32
  117 3.2 32
  119 2.7 27
  139 1.31 13
  140 3.9 39
  141 69.5 695
  142 8.7 87
  143 0.74 7
  145 6.7 67
  155 4 40
  157 4 40
  168 1.46 15
  169 12.5 125
  172 4.5 45
  174 4.3 43
  220 0.48 5
  222 4.6 46
  248 99.99 999
  249 14 140
  250 8.86 89
  251 13.5 135
//