ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002992
RECORD_TITLE: 2-(4-BROMOPHENYL)-1,1-DIPHENYLETHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 2-(4-BROMOPHENYL)-1,1-DIPHENYLETHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H15Br
CH$EXACT_MASS: 334.03571
CH$SMILES: Brc(c3)ccc(c3)C=C(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C20H15Br/c21-19-13-11-16(12-14-19)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H
CH$LINK: INCHIKEY HUCFDUOIMSRYAA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50348126
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f80-1696000000-a0b89723ec29c6e4f069
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  50 4.7 47
  51 10.8 108
  52 2.2 22
  62 0.23 2
  63 7 70
  74 3.9 39
  75 6.7 67
  76 0.61 6
  77 7.8 78
  78 2.6 26
  80 4.1 41
  82 0.41 4
  87 4 40
  88 5.2 52
  89 3.7 37
  91 0.35 4
  99 2.6 26
  100 6.1 61
  101 10.2 102
  102 0.35 4
  112 5.8 58
  113 24.2 242
  114 9.1 91
  115 0.32 3
  119 4.1 41
  120 19.3 193
  125 12.6 126
  126 3.67 37
  127 11.9 119
  128 3.1 31
  139 2.3 23
  150 0.42 4
  151 6.2 62
  152 6.2 62
  153 2 20
  163 0.27 3
  164 2.4 24
  165 11.7 117
  166 1.4 14
  175 0.24 2
  176 20.1 201
  177 15.2 152
  178 43.6 436
  179 1.13 11
  189 3.2 32
  200 2.5 25
  201 1.5 15
  202 0.04 0
  213 2.6 26
  215 7.1 71
  224 2.3 23
  225 0.23 2
  226 9.5 95
  227 4.3 43
  228 8.1 81
  229 0.19 2
  238 2.1 21
  239 33.2 332
  240 33.5 335
  241 0.69 7
  245 2.8 28
  250 9.7 97
  251 6.5 65
  252 4.81 48
  253 59.4 594
  254 56.6 566
  255 65.9 659
  256 2.58 26
  257 3.8 38
  258 8.1 81
  319 2.4 24
  321 0.22 2
  334 99.99 999
  335 21.9 219
  336 98.7 987
  337 16.6 166
//
