ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004354
RECORD_TITLE: 4-BROMO-3,5-DIPHENYLISOXAZOLE; 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$NAME: 4-BROMO-3,5-DIPHENYLISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H10BrNO
CH$EXACT_MASS: 298.99458
CH$SMILES: c(c3)ccc(c3)c(n2)c(Br)c(o2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H10BrNO/c16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12/h1-10H
CH$LINK: INCHIKEY KBTBIQOIEHEJNM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90341116
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a6r-7911000000-49f734e2b166ceae943a
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  26 3.1 31
  27 6.1 61
  29 2 20
  37 0.15 2
  38 2.2 22
  41 3 30
  42 5 50
  50 0.42 4
  51 15 150
  52 1.5 15
  55 2 20
  62 0.17 2
  63 4.1 41
  69 1.2 12
  74 1.5 15
  75 0.2 2
  76 2.8 28
  77 50 500
  78 5.4 54
  87 0.15 2
  88 2.1 21
  89 8.1 81
  90 1.3 13
  91 0.12 1
  94.5 1.9 19
  95 1.3 13
  103 3.5 35
  104 0.12 1
  105 99.99 999
  106 8.3 83
  114 1.3 13
  115 0.26 3
  116 1.1 11
  143 1.5 15
  163 1.7 17
  165 0.45 5
  166 1.3 13
  180 13 130
  181 1.9 19
  182 0.12 1
  187 1.3 13
  188 1.2 12
  189 4.7 47
  190 0.3 3
  191 1.5 15
  192 6.2 62
  193 1.5 15
  219 0.12 1
  220 15 150
  221 4.6 46
  222 2.2 22
  299 2.1 21
  300 4 40
  301 21 210
  302 3.9 39
//
