MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003646

CATECHOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003646
RECORD_TITLE: CATECHOL; 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

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CH$NAME: CATECHOL
CH$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$LINK: COMPTOX DTXSID3020257
CH$LINK: INCHIKEY YCIMNLLNPGFGHC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:289

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-03di-9600000000-032a40483dec93738075
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  38 11 110
  39 12 120
  40 1.9 19
  41 0.15 2
  42 2 20
  46 2 20
  49 2.2 22
  50 1.03 10
  51 10.2 102
  52 15 150
  53 14.8 148
  54 0.41 4
  55 9.2 92
  61 2.1 21
  62 5.7 57
  63 2.15 22
  64 38.5 385
  65 3 30
  66 2.2 22
  77 0.15 2
  79 2 20
  80 1.9 19
  81 14.3 143
  82 0.36 4
  91 2 20
  92 10.8 108
  109 3.5 35
  110 99.99 999
  111 6.4 64
  112 3.5 35
//