MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000025

1,3-BENZENEDIOL; EI-B; MS

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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

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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

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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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
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  65 3.64 36
  66 2.02 20
  67 2.17 22
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  70 2.26 23
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  83 3.04 30
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//