ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004663
RECORD_TITLE: 4-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$NAME: 4-CHLOROPHENOL
CH$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$LINK: CAS 106-48-9
CH$LINK: INCHIKEY WXNZTHHGJRFXKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1021871

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-004i-5900000000-7c45de518d13780605c4
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  46 2.38 24
  49 1.49 15
  50 3.23 32
  51 1.73 17
  53 3.24 32
  55 1.05 11
  61 2.91 29
  62 3.7 37
  63 8.83 88
  64 15.47 155
  65 30.15 302
  66 2.33 23
  73 5.2 52
  74 2.25 23
  75 3.1 31
  89 1.22 12
  92 2.32 23
  93 3.88 39
  99 4.94 49
  100 8.49 85
  101 2.21 22
  102 3.21 32
  127 1.16 12
  128 99.99 999
  129 7.21 72
  130 33.56 336
  131 2.22 22
//