ACCESSION: MSBNK-RIKEN-PR100048
RECORD_TITLE: 2-Hydroxypyridine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 2-Hydroxypyridine
CH$NAME: 2(1H)-Pyridone
CH$NAME: 2-Pyridinol
CH$NAME: 2-Oxopyridine
CH$COMPOUND_CLASS: Pyridines
CH$FORMULA: C₅H₅NO
CH$EXACT_MASS: 95.03711
CH$SMILES: Oc(c1)nccc1
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$LINK: CHEMSPIDER 8537
CH$LINK: KEGG C02502
CH$LINK: KNAPSACK C00007405
CH$LINK: PUBCHEM CID:8871
CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2051716

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

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

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
//