ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011077
RECORD_TITLE: CHLOROHYDROQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CHLOROHYDROQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅ClO₂
CH$EXACT_MASS: 143.99781
CH$SMILES: Oc(c1)cc(Cl)c(O)c1
CH$IUPAC: InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
CH$LINK: CAS 615-67-8
CH$LINK: INCHIKEY AJPXTSMULZANCB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4060656

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0f6x-9800000000-69fa8db44eeaa8c39603
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  25 1.01 10
  26 3.77 38
  27 4.04 40
  28 1 10
  29 3.54 35
  37 1.56 16
  38 1.43 14
  39 1.97 20
  49 1.36 14
  50 4.82 48
  51 13.79 138
  52 40.8 408
  53 14.81 148
  54 4.05 41
  55 4.34 43
  60 1.89 19
  61 2.99 30
  62 3.14 31
  63 3.82 38
  69 1.88 19
  72 2.19 22
  73 1.56 16
  79 4.94 49
  80 25.75 258
  81 10.63 106
  82 1.47 15
  86 1.25 13
  87 1.78 18
  89 1.47 15
  107 1.45 15
  108 3.1 31
  109 1.26 13
  110 5.97 60
  114 1.16 12
  115 3.46 35
  117 1.11 11
  143 2.59 26
  144 99.99 999
  145 7.67 77
  146 32.98 330
  147 2.18 22
//