ACCESSION: MSBNK-EPA-ENTACT_AGILENT002310
RECORD_TITLE: 5-Ethyl-2,3-pyridinedicarboxylic acid; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 5-Ethyl-2,3-pyridinedicarboxylic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉NO₄
CH$EXACT_MASS: 195.0531577837
CH$SMILES: CCC1=CC(=C(N=C1)C(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C9H9NO4/c1-2-5-3-6(8(11)12)7(9(13)14)10-4-5/h3-4H,2H2,1H3,(H,11,12)(H,13,14)
CH$LINK: CAS 102268-15-5
CH$LINK: INCHIKEY MTAVBTGOXNGCJR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:113606

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 196.0604342354
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-0900000000-a435969e67ff11b3d09a
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  106.065126 35.245797 352
  134.06004 22.262532 222
  150.054955 5.210131 52
  152.070605 18.903626 188
  178.04987 100.000003 999
  196.060434 8.697486 86
//