ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005124
RECORD_TITLE: 4-BROMOBENZYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 4-BROMOBENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7BrO
CH$EXACT_MASS: 185.96803
CH$SMILES: OCc(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C7H7BrO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
CH$LINK: INCHIKEY VEDDBHYQWFOITD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50236276
AC$INSTRUMENT: JEOL JMS-HX-100
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0550-4900000000-997255249c44dc34553c
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  39 0.22 2
  41 0.2 2
  42 0.17 2
  43 0.14 1
  50 0.23 2
  51 0.41 4
  52 0.15 2
  53 0.44 4
  55 0.14 1
  56 0.16 2
  57 0.11 1
  58 0.25 3
  63 0.14 1
  67 0.11 1
  75 0.43 4
  76 0.25 3
  77 34 340
  78 12.78 128
  79 83.95 840
  80 6.53 65
  81 0.34 3
  82 0.76 8
  89 3.96 40
  90 2.72 27
  91 0.55 6
  92 0.24 2
  93 0.15 2
  105 2.68 27
  106 1.28 13
  107 99.99 999
  108 9.71 97
  109 0.64 6
  133 0.11 1
  155 0.45 5
  156 0.53 5
  157 9.77 98
  158 1.26 13
  159 9.43 94
  160 0.73 7
  168 0.17 2
  169 5.1 51
  170 0.74 7
  171 5.18 52
  172 0.57 6
  183 0.94 9
  184 0.75 8
  185 9.11 91
  186 73.22 732
  187 14.04 140
  188 70.94 709
  189 6.6 66
  190 0.47 5
//
