MassBank Record: KO000989



 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000989
RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000f-9800000000-deb0d54a79b61d71a9fc PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 68.500 19802.0 5 91.700 74257.5 19 94.000 3985152.5 999 107.800 490099.5 123 109.900 59406.0 15 120.000 79208.0 20 122.300 34653.5 9 123.300 148515.0 37 136.200 29703.0 7 137.100 1608912.5 403 138.100 1232674.5 309 //