ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005703
RECORD_TITLE: 1,2-BENZENEDIOL; 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$NAME: 1,2-BENZENEDIOL
CH$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: CAS 120-80-9
CH$LINK: INCHIKEY YCIMNLLNPGFGHC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3020257

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$SPLASH: splash10-03di-7900000000-83f892852c355a3863e9
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  26 1.49 15
  27 4.35 44
  28 0.49 5
  29 1.96 20
  37 1.11 11
  38 2.44 24
  39 3.88 39
  40 0.32 3
  49 0.76 8
  50 2.63 26
  51 3.03 30
  52 2.25 23
  53 5.5 55
  54 2.06 21
  55 2.86 29
  61 0.73 7
  62 1.5 15
  63 9.68 97
  64 19.27 193
  65 1.48 15
  66 0.51 5
  79 0.44 4
  80 0.33 3
  81 8.3 83
  82 3.04 30
  92 6.55 66
  93 0.57 6
  109 1.89 19
  110 99.99 999
  111 7.26 73
  112 0.61 6
//