MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003415

PHENOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003415
RECORD_TITLE: PHENOL; 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$NAME: PHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O
CH$EXACT_MASS: 94.04186
CH$SMILES: Oc(c1)cccc1
CH$IUPAC: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
CH$LINK: INCHIKEY ISWSIDIOOBJBQZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021124

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AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9000000000-78c83ab6ff1d3dfdbec6
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  54 6.7 67
  65 17.3 173
  66 27.6 276
  75 4.2 42
  78 4.6 46
  85 3.1 31
  94 99.99 999
  95 8.8 88
//