MassBank Record: MSBNK-Keio_Univ-KO000991
ACCESSION: MSBNK-Keio_Univ-KO000991
RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:40 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
CH$LINK: INCHIKEY
BLHCMGRVFXRYRN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0057754
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9400000000-c052843ee5e55f4051a9
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
42.000 227723.0 999
46.100 74257.5 326
91.800 69307.0 304
93.800 138614.0 608
108.200 158416.0 695
109.000 24752.5 109
136.700 49505.0 217
//
system version 2.2.6-SNAPSHOT