ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000025
RECORD_TITLE: 1,3-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$NAME: 1,3-BENZENEDIOL
CH$NAME: RESORCINOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O₂
CH$EXACT_MASS: 110.03678
CH$SMILES: Oc(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
CH$LINK: INCHIKEY GHMLBKRAJCXXBS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021238

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$SPLASH: splash10-08gi-9600000000-0e7d24e90c380c2fbaf5
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  51 6.22 62
  52 3.79 38
  53 23.62 236
  54 13.16 132
  55 17.43 174
  57 2.5 25
  61 2.36 24
  62 4.49 45
  63 9.12 91
  64 8.22 82
  65 3.64 36
  66 2.02 20
  67 2.17 22
  68 7.39 74
  69 21.54 215
  70 2.26 23
  71 3.95 40
  80 3.88 39
  81 31.06 311
  82 34.69 347
  83 3.04 30
  95 3.23 32
  109 43.04 430
  110 99.99 999
  111 8.28 83
//