ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003746
RECORD_TITLE: 4-CHLOROBUTYROPHENONE; 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$NAME: 4-CHLOROBUTYROPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁ClO
CH$EXACT_MASS: 182.04984
CH$SMILES: ClCCCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H11ClO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
CH$LINK: INCHIKEY GHEFQKHLHFXSBR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10917236

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$SPLASH: splash10-000i-4900000000-1d4d0b51b9e4c3f79491
PK$NUM_PEAK: 121
PK$PEAK: m/z int. rel.int.
  12 0.2 2
  13 0.1 1
  14 0.6 6
  15 0.22 2
  16 0.1 1
  17 0.2 2
  18 4 40
  25 0.01 0
  26 1.3 13
  27 8.6 86
  28 1.9 19
  29 0.01 0
  31 0.1 1
  32 0.3 3
  35 0.2 2
  36 0.04 0
  37 0.6 6
  38 1.3 13
  39 3.8 38
  40 0.63 6
  41 3.7 37
  42 0.7 7
  43 5.4 54
  44 0.01 0
  45 0.1 1
  47 0.2 2
  48 0.1 1
  49 0.12 1
  50 12.7 127
  51 6.3 63
  52 0.3 3
  53 0.01 0
  54 0.1 1
  55 2.1 21
  56 0.1 1
  57 0.02 0
  58 0.1 1
  59 0.1 1
  60 0.3 3
  61 0.14 1
  62 1.1 11
  63 2 20
  64 0.5 5
  65 0.05 1
  66 0.6 6
  69 0.4 4
  70 0.1 1
  71 0.06 1
  72 0.4 4
  73 1.8 18
  74 5.9 59
  75 2.06 21
  76 4.8 48
  77 2.4 24
  78 0.1 1
  79 0.01 0
  83 0.1 1
  84 0.8 8
  85 2.7 27
  86 0.05 1
  87 1.1 11
  88 0.2 2
  89 1.4 14
  90 0.04 0
  91 0.8 8
  93 0.1 1
  97 0.1 1
  98 0.01 0
  99 0.5 5
  101 0.6 6
  102 0.3 3
  103 0.04 0
  104 1.5 15
  105 0.5 5
  108 0.1 1
  109 0.01 0
  110 0.9 9
  111 32.2 322
  112 1.3 13
  113 1.04 10
  114 0.4 4
  115 0.4 4
  116 0.1 1
  117 0.01 0
  118 0.2 2
  119 0.3 3
  120 0.1 1
  123 0.01 0
  125 1.2 12
  126 0.1 1
  127 0.5 5
  128 0.02 0
  129 0.2 2
  131 0.2 2
  132 0.2 2
  136 0.02 0
  137 0.2 2
  138 0.4 4
  139 99.99 999
  140 0.1 1
  141 31.8 318
  145 0.1 1
  146 0.3 3
  147 1.31 13
  148 2.6 26
  151 0.1 1
  152 0.1 1
  153 0.01 0
  154 9.2 92
  155 0.1 1
  156 3 30
  164 0.02 0
  165 0.1 1
  166 0.1 1
  167 1.3 13
  168 0.01 0
  169 0.4 4
  181 0.1 1
  182 1 10
  183 0.01 0
  184 0.3 3
//