ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008322
RECORD_TITLE: 3-CHLORO-4-HYDROXYPHENYLACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: 3-CHLORO-4-HYDROXYPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClO3
CH$EXACT_MASS: 186.00837
CH$SMILES: OC(=O)Cc(c1)cc(Cl)c(O)c1
CH$IUPAC: InChI=1S/C8H7ClO3/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3,10H,4H2,(H,11,12)
CH$LINK: INCHIKEY IYTUKSIOQKTZEG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60187381
AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-6900000000-b5948335ed82c09c23ea
PK$NUM_PEAK: 115
PK$PEAK: m/z int. rel.int.
  15 0.19 2
  16 0.24 2
  17 0.66 7
  18 1.56 16
  26 1.13 11
  27 3.05 31
  28 10.33 103
  29 1.11 11
  31 0.18 2
  32 0.42 4
  36 0.49 5
  37 1.87 19
  38 5.04 50
  39 3.72 37
  40 0.4 4
  41 0.64 6
  42 0.51 5
  43 1.31 13
  44 6.29 63
  45 3.05 31
  47 0.27 3
  49 1.17 12
  50 6.86 69
  51 22.13 221
  52 5.64 56
  53 4.79 48
  54 0.37 4
  55 1.9 19
  56 2.1 21
  57 0.91 9
  60 0.63 6
  61 1.37 14
  62 2.1 21
  63 2.52 25
  64 0.46 5
  65 1.17 12
  66 0.59 6
  67 0.52 5
  68 0.12 1
  69 0.32 3
  70 0.39 4
  71 2.58 26
  72 1.11 11
  73 2.19 22
  74 2.02 20
  75 3.32 33
  76 1.43 14
  77 32.52 325
  78 5.57 56
  79 1.38 14
  80 0.16 2
  81 0.35 4
  82 0.13 1
  83 0.14 1
  84 0.47 5
  85 0.87 9
  86 0.69 7
  87 0.81 8
  88 0.24 2
  89 0.64 6
  91 0.34 3
  93 0.62 6
  94 0.43 4
  95 0.39 4
  96 0.1 1
  97 0.29 3
  98 0.14 1
  99 0.31 3
  101 0.16 2
  103 0.12 1
  104 0.25 3
  105 7.47 75
  106 1.42 14
  107 6.22 62
  108 0.55 6
  109 0.33 3
  111 0.5 5
  112 2.58 26
  113 0.91 9
  114 0.93 9
  115 0.53 5
  117 0.12 1
  121 0.21 2
  123 0.33 3
  125 0.1 1
  127 0.27 3
  128 0.11 1
  129 0.34 3
  130 0.13 1
  133 0.16 2
  135 0.19 2
  139 0.38 4
  140 4.38 44
  141 99.99 999
  142 10.02 100
  143 37.4 374
  144 3.19 32
  145 0.49 5
  150 0.15 2
  151 0.2 2
  152 0.49 5
  155 0.34 3
  156 0.25 3
  157 0.33 3
  168 0.23 2
  170 0.12 1
  185 0.19 2
  186 34.23 342
  187 2.9 29
  188 10.77 108
  189 0.85 9
  190 0.1 1
  197 0.13 1
  243 0.21 2
  269 0.12 1
//
