ACCESSION: MSBNK-EPA-ENTACT_AGILENT001400
RECORD_TITLE: 2,6-Pyridinedicarboxylic acid; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,6-Pyridinedicarboxylic acid
CH$NAME: DTXSID7022043
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅NO₄
CH$EXACT_MASS: 167.0218576561
CH$SMILES: OC(=O)C1=CC=CC(=N1)C(O)=O
CH$IUPAC: InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
CH$LINK: CAS 499-83-2
CH$LINK: INCHIKEY WJJMNDUMQPNECX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10367

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 168.0291341078
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00dl-6900000000-cc8802ba394327b39619
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  39.022927 1.46489 14
  51.022927 1.416241 14
  66.033826 17.949029 179
  78.033826 2.170322 21
  94.02874 51.387634 513
  122.023655 100.000003 999
  150.018569 3.421175 34
//