MassBank Record: PR100297



 6-Hydroxynicotinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100297
RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 6-Hydroxynicotinic acid CH$NAME: 6-Hydroxynicotinate CH$NAME: 6-Hydroxypyridine-3-carboxylic acid CH$NAME: 2-Hydroxy-5-pyridinecarboxylic acid CH$NAME: ,6-Dihydro-6-oxo-3-pyridinecarboxylic acid CH$COMPOUND_CLASS: Carboxylic acids CH$FORMULA: C6H5NO3 CH$EXACT_MASS: 139.02694 CH$SMILES: OC(=O)c(c1)cnc(O)c1 CH$IUPAC: InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10) CH$LINK: CAS 5006-66-6 CH$LINK: CHEMSPIDER 65756 CH$LINK: KEGG C01020 CH$LINK: KNAPSACK C00007415 CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N
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$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$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 CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 140.03474 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-1900000000-349f5be72008a76679c5 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 66.0357 25.72 22 78.0348 112.3 98 94.0297 88.93 77 95.0140 26.3 23 98.9648 35.45 31 112.0404 14.83 13 122.0249 403.1 350 140.0347 1150 999 //