ACCESSION: MSBNK-EPA-ENTACT_AGILENT001404
RECORD_TITLE: 2,6-Pyridinedicarboxylic acid; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0gb9-9000000000-ad59db735a313c7d09a0
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  39.022927 46.105181 460
  44.997106 17.841403 178
  50.015101 2.343743 23
  51.022927 63.809752 637
  52.018175 4.341902 43
  66.033826 100.000006 999
  76.018175 2.344858 23
  78.033826 20.366862 203
  80.01309 1.157685 11
  94.02874 25.973669 259
  95.012756 1.650633 16
  122.023655 2.936344 29
//