MassBank Record: JP008335

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ORTHO-CHLOROPHENOL; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP008335
RECORD_TITLE: ORTHO-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$NAME: ORTHO-CHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5ClO
CH$EXACT_MASS: 128.002890000000007830749382264912128448486328125
CH$SMILES: Oc(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
CH$LINK: COMPTOX DTXSID5021544
CH$LINK: INCHIKEY ISPYQTSUDJAMAB-UHFFFAOYSA-N

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$SPLASH: splash10-01t9-9600000000-36ba32f2c81fdba5c49c
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  14 6.19 62
  26 2.11 21
  27 1.28 13
  31 2.07 21
  32 3.08 31
  37 3.69 37
  38 12.09 121
  39 14.47 145
  41 3.43 34
  46 3.3 33
  50 6.82 68
  51 3.44 34
  52 0.72 7
  53 2.68 27
  54 3.79 38
  61 3.92 39
  62 7.04 70
  63 23.28 233
  64 52.33 523
  65 18.48 185
  70 2.4 24
  71 0.34 3
  73 5.98 60
  75 3.91 39
  82 0.53 5
  85 0.35 4
  87 1.42 14
  88 1.54 15
  89 0.82 8
  92 21.41 214
  97 1.54 15
  99 4.61 46
  100 3.23 32
  108 3.67 37
  109 0.77 8
  111 1.38 14
  115 0.57 6
  128 99.99 999
  129 8.23 82
  130 39.56 396
  131 2.73 27
  142 0.44 4
  149 0.41 4
//