MassBank Record: JP002903

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O-CHLOROPHENOL; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP002903
RECORD_TITLE: O-CHLOROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: O-CHLOROPHENOL
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01t9-9600000000-edc951b535cd8797ecb0
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  14 6.19 62
  26 2.11 21
  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
  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
  73 5.98 60
  75 3.91 39
  92 21.41 214
  99 4.61 46
  100 3.23 32
  108 3.67 37
  128 99.99 999
  129 8.23 82
  130 39.56 396
  131 2.73 27
//