ACCESSION: MSBNK-EPA-ENTACT_AGILENT002312
RECORD_TITLE: 5-Ethyl-2,3-pyridinedicarboxylic acid; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a4i-0900000000-4cfaf4ab549c4fddf30d
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  67.054227 2.819065 28
  77.038577 1.349117 13
  93.057301 1.172874 11
  94.065126 1.923276 19
  106.065126 99.999998 999
  122.06004 5.204516 51
  134.06004 8.423843 84
  137.04713 3.236479 32
  150.054955 11.49534 114
  152.070605 9.144557 91
  178.04987 6.628133 66
//