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MassBank Record: MSBNK-RIKEN_ReSpect-PT100800

2-Oxopyridine, 2-Pyridinol, 2(1H)-Pyridone, 1H-pyridin-2-one, 2-Hydroxypyridine; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT100800
RECORD_TITLE: 2-Oxopyridine, 2-Pyridinol, 2(1H)-Pyridone, 1H-pyridin-2-one, 2-Hydroxypyridine; LC-ESI-QTOF; MS2
DATE: 2008.07.24
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 2-Oxopyridine
CH$NAME: 2-Pyridinol
CH$NAME: 2(1H)-Pyridone
CH$NAME: 1H-pyridin-2-one
CH$NAME: 2-Hydroxypyridine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Pyridine
CH$FORMULA: C5H5NO
CH$EXACT_MASS: 95.101
CH$SMILES: C1=CC(=O)NC=C1
CH$IUPAC: InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
CH$LINK: CAS 142-08-5
CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 96.04491

PK$SPLASH: splash10-0002-9000000000-91777761a571b56d86bf
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  78.0339 8.804 17
  95.9478 5.135 10
  96.0134 10.4 20
  96.0449 513.1 999
//

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