ACCESSION: MSBNK-RIKEN_ReSpect-PS074105
RECORD_TITLE: 4-Hydroxypyridine, 4-Pyridinol, 4-Pyridone, pyridin-4-ol, gamma-Oxypyridine; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound Wako, 087-02791 .
COMMENT: PRIMe compound in-house ID S0139
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: 4-Hydroxypyridine
CH$NAME: 4-Pyridinol
CH$NAME: 4-Pyridone
CH$NAME: pyridin-4-ol
CH$NAME: gamma-Oxypyridine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Pyridine
CH$FORMULA: C₅H₅NO
CH$EXACT_MASS: 95.101
CH$SMILES: C1=CNC=CC1=O
CH$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: PUBCHEM CID:12290
CH$LINK: INCHIKEY GCNTZFIIOFTKIY-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 96.05

PK$SPLASH: splash10-0002-9000000000-70ead1cc69282620d250
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  28.0 1604.0 35
  38.0 2918.0 63
  39.0 4187.0 90
  40.0 4182.0 90
  41.0 11401.0 246
  68.0 2203.0 48
  78.0 1467.0 32
  88.0 1891.0 41
  90.0 1710.0 37
  91.0 2874.0 62
  92.0 3989.0 86
  93.0 5037.0 109
  94.0 7242.0 156
  95.0 18833.0 406
  96.0 46302.0 999
  97.0 7192.0 155
  98.0 3030.0 65
  99.0 1514.0 33
//