MassBank Record: MSBNK-EPA-ENTACT_AGILENT000105

4-Pyridinol; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000105
RECORD_TITLE: 4-Pyridinol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 4-Pyridinol
CH$NAME: DTXSID2052310
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₅NO
CH$EXACT_MASS: 95.0371137892
CH$SMILES: OC1C=CN=CC=1
CH$IUPAC: InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
CH$LINK: CAS 626-64-2
CH$LINK: INCHIKEY GCNTZFIIOFTKIY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12290

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AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 94.0298373375
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0006-9000000000-8c7a1e300be40afe6fbe
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  40.019273 5.257666 52
  41.003288 5.339095 53
  52.019273 2.423747 24
  53.003288 1.022077 10
  65.998537 1.076713 10
  66.034923 6.480366 64
  68.014187 2.028678 20
  94.029837 99.999996 999
//