MassBank Record: KO003080



 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: KO003080
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 140 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9100000000-e0803e84466b5985c3b2 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 41.000 49505.0 46 54.900 19802.0 19 57.000 54455.5 51 58.300 1064357.5 999 70.600 29703.0 28 72.900 94059.5 88 76.100 173267.5 163 77.300 19802.0 19 78.100 94059.5 88 80.000 252475.5 237 83.600 34653.5 33 86.600 14851.5 14 104.900 39604.0 37 111.800 29703.0 28 122.100 113861.5 107 140.200 99010.0 93 //