ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008336
RECORD_TITLE: PARA-CHLOROPHENOL; 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$NAME: PARA-CHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅ClO
CH$EXACT_MASS: 128.00289
CH$SMILES: Oc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
CH$LINK: INCHIKEY WXNZTHHGJRFXKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021871

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$SPLASH: splash10-004i-9800000000-32ffdbba762c4f0fc609
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  14 0.58 6
  17 0.7 7
  18 2.23 22
  26 1.32 13
  27 1.61 16
  29 1.64 16
  31 2.24 22
  32 2.28 23
  36 0.9 9
  37 5.97 60
  38 7.7 77
  39 15.47 155
  40 1.23 12
  41 0.37 4
  42 0.95 10
  43 0.51 5
  45 0.2 2
  46 4.41 44
  47 0.74 7
  49 2.52 25
  50 5.33 53
  51 2.58 26
  52 0.71 7
  53 4.81 48
  55 2.04 20
  57 0.42 4
  60 1.2 12
  61 4.76 48
  62 6.57 66
  63 12.44 124
  64 17.41 174
  65 33.08 331
  66 3.54 35
  67 0.57 6
  68 0.64 6
  72 1.42 14
  73 7.64 76
  74 3.12 31
  75 4.74 47
  76 0.47 5
  77 0.66 7
  79 0.28 3
  80 0.28 3
  82 0.38 4
  84 0.59 6
  85 0.4 4
  86 0.26 3
  87 0.28 3
  89 0.64 6
  91 0.66 7
  92 2.79 28
  93 4.15 42
  94 0.5 5
  97 0.37 4
  99 6.09 61
  100 10.32 103
  101 3.03 30
  102 4.19 42
  103 0.1 1
  104 0.2 2
  105 0.29 3
  108 0.25 3
  109 0.15 2
  110 0.84 8
  113 0.29 3
  115 0.21 2
  117 0.11 1
  119 0.23 2
  127 1.51 15
  128 99.99 999
  129 7.26 73
  130 34.22 342
  131 2.27 23
  133 0.18 2
  141 0.1 1
  168 0.11 1
  175 0.17 2
//