ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003748
RECORD_TITLE: 4-BROMOBUTYROPHENONE; 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$NAME: 4-BROMOBUTYROPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁BrO
CH$EXACT_MASS: 225.99933
CH$SMILES: BrCCCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H11BrO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
CH$LINK: INCHIKEY AUWYVCBOBIRRGR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50178804

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$SPLASH: splash10-003r-9800000000-7b26e038c266f1f83bdd
PK$NUM_PEAK: 136
PK$PEAK: m/z int. rel.int.
  12 0.9 9
  13 0.5 5
  14 2.9 29
  15 0.53 5
  16 0.8 8
  17 1.4 14
  18 8.4 84
  24 0.01 0
  25 0.5 5
  26 3.5 35
  27 17.6 176
  28 0.63 6
  29 3.1 31
  30 0.2 2
  31 0.6 6
  32 0.04 0
  36 0.8 8
  37 3.8 38
  38 5.5 55
  39 0.89 9
  40 1.3 13
  41 5.7 57
  42 2.2 22
  43 1.07 11
  44 0.2 2
  45 1 10
  48 0.6 6
  49 0.39 4
  50 38.5 385
  51 9.3 93
  52 1.7 17
  53 0.19 2
  54 0.3 3
  55 3.8 38
  56 0.7 7
  57 0.01 0
  60 0.8 8
  61 2.1 21
  62 2.5 25
  63 0.04 0
  64 0.9 9
  65 0.8 8
  66 0.7 7
  67 0.03 0
  68 0.4 4
  69 0.2 2
  72 0.5 5
  73 0.18 2
  74 11.4 114
  75 20.7 207
  76 17.3 173
  77 0.69 7
  78 0.6 6
  79 1.9 19
  80 1.2 12
  81 0.19 2
  82 1.2 12
  84 0.4 4
  85 1.2 12
  86 0.14 1
  87 0.7 7
  88 0.4 4
  89 2.6 26
  90 0.02 0
  91 2.1 21
  92 0.3 3
  93 0.4 4
  98 0.07 1
  99 0.2 2
  101 0.3 3
  102 0.4 4
  103 0.12 1
  104 4.7 47
  105 6.9 69
  106 0.3 3
  107 0.01 0
  108 0.3 3
  113 0.3 3
  114 0.2 2
  115 0.12 1
  116 0.3 3
  117 1.7 17
  118 1 10
  119 0.31 3
  120 1.4 14
  127 0.1 1
  128 0.3 3
  129 0.09 1
  130 0.5 5
  131 0.8 8
  132 0.6 6
  133 0.16 2
  134 0.4 4
  139 0.1 1
  141 0.1 1
  143 0.01 0
  145 0.2 2
  146 0.8 8
  147 16.9 169
  148 0.34 3
  152 0.1 1
  153 0.1 1
  154 0.5 5
  155 2.38 24
  156 1.8 18
  157 22.5 225
  158 0.8 8
  159 0.02 0
  165 0.1 1
  167 0.3 3
  169 0.9 9
  170 0.04 0
  171 0.9 9
  172 0.4 4
  180 0.1 1
  181 0.02 0
  182 0.7 7
  183 99.99 999
  184 0.7 7
  185 9.79 98
  195 0.4 4
  196 0.1 1
  197 1.8 18
  198 1.08 11
  199 1.3 13
  200 10.7 107
  207 0.6 6
  208 0.02 0
  209 0.1 1
  210 0.1 1
  211 1.6 16
  212 0.01 0
  213 1.5 15
  225 0.1 1
  226 0.9 9
  228 0.8 8
//