ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003747
RECORD_TITLE: 4-BROMOPROPIOPHENONE; 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$NAME: 4-BROMOPROPIOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉BrO
CH$EXACT_MASS: 211.98368
CH$SMILES: CCC(=O)c(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C9H9BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
CH$LINK: INCHIKEY UOMOSYFPKGQIKI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10145830

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$SPLASH: splash10-0040-5900000000-810bda1aa1372cb8fca1
PK$NUM_PEAK: 128
PK$PEAK: m/z int. rel.int.
  12 0.5 5
  13 0.4 4
  14 1.5 15
  15 0.24 2
  16 0.5 5
  17 1.2 12
  18 1.5 15
  24 0.01 0
  25 0.6 6
  26 3.9 39
  27 13.4 134
  28 0.65 7
  29 11.4 114
  30 0.2 2
  31 0.2 2
  32 0.16 2
  36 0.3 3
  37 1.9 19
  38 2.8 28
  39 0.22 2
  40 0.3 3
  41 1.2 12
  42 0.6 6
  43 0.16 2
  44 0.2 2
  45 0.2 2
  48 0.3 3
  49 0.03 0
  50 28.3 283
  51 11.6 116
  52 0.9 9
  53 0.19 2
  54 0.2 2
  55 2.5 25
  56 0.7 7
  57 0.43 4
  60 0.3 3
  61 1.6 16
  62 2.4 24
  63 0.31 3
  64 0.5 5
  65 0.9 9
  66 0.4 4
  67 0.01 0
  68 0.2 2
  72 0.4 4
  73 3.1 31
  74 1.37 14
  75 25.7 257
  76 22.8 228
  77 8.5 85
  78 0.07 1
  79 1.4 14
  80 0.8 8
  81 1 10
  82 0.08 1
  84 0.2 2
  85 0.5 5
  86 0.7 7
  87 0.06 1
  88 0.4 4
  89 1.7 17
  90 1.1 11
  91 0.16 2
  92 0.2 2
  93 0.2 2
  98 0.3 3
  99 0.01 0
  101 0.4 4
  102 0.9 9
  103 1.5 15
  104 0.53 5
  105 7.9 79
  106 1 10
  107 0.4 4
  108 0.09 1
  113 0.1 1
  114 0.1 1
  115 1.2 12
  116 0.05 1
  117 0.8 8
  118 0.6 6
  119 1.1 11
  120 0.03 0
  127 0.1 1
  128 0.4 4
  129 1.1 11
  130 0.04 0
  131 1.5 15
  132 0.9 9
  133 1.2 12
  134 0.28 3
  139 0.1 1
  141 0.1 1
  143 0.1 1
  145 0.01 0
  152 0.2 2
  153 0.2 2
  154 0.7 7
  155 3.25 33
  156 2.2 22
  157 31.6 316
  158 1.6 16
  159 0.02 0
  160 0.1 1
  165 0.1 1
  167 0.1 1
  169 0.05 1
  170 0.1 1
  171 0.5 5
  172 0.4 4
  180 0.01 0
  181 0.2 2
  182 0.9 9
  183 99.99 999
  184 0.09 1
  185 97.9 979
  195 0.2 2
  196 0.2 2
  197 0.03 0
  198 0.3 3
  199 0.3 3
  200 0.2 2
  210 0.01 0
  211 0.3 3
  212 13.4 134
  213 0.2 2
  214 12.8 128
//