ACCESSION: MSBNK-EPA-ENTACT_AGILENT000104
RECORD_TITLE: 4-Pyridinol; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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

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 40

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

PK$SPLASH: splash10-0006-9000000000-94d9dfd403c72999eb46
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  38.003623 6.834301 68
  39.011448 9.356142 93
  39.024024 7.119885 71
  40.019273 44.800479 447
  41.003288 99.999998 999
  41.027098 2.044416 20
  49.008374 9.566941 95
  50.003623 5.200934 51
  52.019273 2.403984 24
  64.019273 1.479567 14
  65.027098 1.34721 13
  65.998537 46.673922 466
  66.034923 17.33383 173
  67.018938 1.778077 17
  68.014187 11.935773 119
  94.029837 21.753789 217
//