ACCESSION: MSBNK-EPA-ENTACT_AGILENT000408
RECORD_TITLE: 2,3-Quinolinedicarboxylic acid; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,3-Quinolinedicarboxylic acid
CH$NAME: DTXSID9027281
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₇NO₄
CH$EXACT_MASS: 217.0375077199
CH$SMILES: OC(=O)C1N=C2C=CC=CC2=CC=1C(O)=O
CH$IUPAC: InChI=1S/C11H7NO4/c13-10(14)7-5-6-3-1-2-4-8(6)12-9(7)11(15)16/h1-5H,(H,13,14)(H,15,16)
CH$LINK: CAS 643-38-9
CH$LINK: INCHIKEY YHUVMHKAHWKQBI-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:69508

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$FOCUSED_ION: PRECURSOR_M/Z 218.0447841716
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-1900000000-cf17a8a56a5d997125e2
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  51.022927 1.081987 10
  75.022927 2.793122 27
  77.038577 12.87877 128
  89.038577 16.105168 160
  101.038577 22.750289 227
  102.033826 1.676759 16
  103.054227 6.616513 66
  116.049476 47.229341 471
  128.049476 100 999
  130.065126 11.868373 118
  174.054955 1.361521 13
//