MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000023

3-CHLOROPHENOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000023
RECORD_TITLE: 3-CHLOROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: 3-CHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅ClO
CH$EXACT_MASS: 128.00289
CH$SMILES: Oc(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
CH$LINK: INCHIKEY HORNXRXVQWOLPJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4024800

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AC$INSTRUMENT: VARIAN MAT-44
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-004i-7900000000-14ad7674ba33dd1838a4
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  51 2.73 27
  53 5.61 56
  61 4.55 46
  62 6.96 70
  63 19.06 191
  64 29.67 297
  65 43.03 430
  66 5.38 54
  73 6.41 64
  74 3.12 31
  75 3.89 39
  92 7.11 71
  93 5.18 52
  94 5.66 57
  99 7.85 79
  100 13.63 136
  101 3.14 31
  102 4.52 45
  127 16.26 163
  128 99.99 999
  129 10.75 108
  130 28.84 288
  131 2.12 21
//