ACCESSION: MSBNK-RIKEN_ReSpect-PT207640
RECORD_TITLE: 3-Pyridinol, pyridin-3-ol, 3-Pyridyl alcohol, 3-Oxopyridine, 3-Pyridone, beta-Oxypyridine, Pyridin-3-ol, 3-Hydroxypyridine; LC-ESI-QTOF; MS2
DATE: 2008.07.28
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$NAME: 3-Pyridinol
CH$NAME: pyridin-3-ol
CH$NAME: 3-Pyridyl alcohol
CH$NAME: 3-Oxopyridine
CH$NAME: 3-Pyridone
CH$NAME: beta-Oxypyridine
CH$NAME: Pyridin-3-ol
CH$NAME: 3-Hydroxypyridine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Pyridine
CH$FORMULA: C₅H₅NO
CH$EXACT_MASS: 95.101
CH$SMILES: C1=CC(=CN=C1)O
CH$IUPAC: InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
CH$LINK: CAS 109-00-2
CH$LINK: INCHIKEY GRFNBEZIAWKNCO-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 NEGATIVE
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 94.02931

PK$SPLASH: splash10-0006-9000000000-a0045ef07dcad8ca518a
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
66.0355 2.513 27
94.0293 91.3 999
//