ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000026
RECORD_TITLE: 1,2-BENZENEDIOL; 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

CH$NAME: 1,2-BENZENEDIOL
CH$NAME: PYROCATECHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O₂
CH$EXACT_MASS: 110.03678
CH$SMILES: Oc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
CH$LINK: INCHIKEY YCIMNLLNPGFGHC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020257

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-8900000000-4e15f35dca47661de590
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  51 3.71 37
  52 2.63 26
  53 8.72 87
  54 6.29 63
  55 8.49 85
  62 2.46 25
  63 16.73 167
  64 33.95 340
  65 2.81 28
  81 12.19 122
  82 11.66 117
  92 10.72 107
  109 19.87 199
  110 99.99 999
  111 6.94 69
//