ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011769
RECORD_TITLE: CATECHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CATECHOL
CH$NAME: ORTHO-DIHYDROXYBENZENE
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$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-03di-9400000000-90885264baa17f65d954
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  26 4.28 43
  27 10.37 104
  29 6.68 67
  37 3.56 36
  38 7.36 74
  39 11.04 110
  40 1.05 11
  42 1.95 20
  43 1.49 15
  46 1.28 13
  49 2.69 27
  50 9.3 93
  51 10.71 107
  52 7.76 78
  53 19.6 196
  54 6.22 62
  55 10.13 101
  61 2.55 26
  62 5.26 53
  63 28.34 283
  64 50.09 501
  65 4.78 48
  66 1.73 17
  77 1.26 13
  79 1.56 16
  80 1.02 10
  81 23.18 232
  82 6.56 66
  92 16.73 167
  93 1.86 19
  109 5.7 57
  110 99.99 999
  111 15.37 154
//