MassBank Record: KO000990



 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000990
RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H015

CH$NAME: 6-Hydroxynicotinate CH$NAME: 6-Hydroxynicotinic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H5NO3 CH$EXACT_MASS: 139.02694 CH$SMILES: O=C(C=1)NC=C(C1)C(O)=O 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$LINK: CHEBI 16168 CH$LINK: KEGG C01020 CH$LINK: NIKKAJI J208I CH$LINK: PUBCHEM SID:4265
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000f-9800000000-64f4c9b54adbcf50e4f2 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 41.800 148515.0 158 45.500 39604.0 42 51.000 19802.0 21 78.400 9901.0 11 81.200 39604.0 42 82.300 14851.5 16 92.100 94059.5 100 92.400 49505.0 53 94.100 940595.0 999 107.000 44554.5 47 107.900 262376.5 279 108.900 49505.0 53 119.800 24752.5 26 123.200 44554.5 47 136.100 133663.5 142 137.000 599010.5 636 138.000 49505.0 53 //