ACCESSION: MSBNK-EPA-ENTACT_AGILENT000406
RECORD_TITLE: 2,3-Quinolinedicarboxylic acid; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-00b9-0900000000-43440e27680944ee5a76
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  101.038577 1.028453 10
  116.049476 6.86811 68
  128.049476 100.000001 999
  130.065126 6.504773 64
  156.04439 21.157776 211
  172.039305 25.884306 258
  174.054955 48.004861 479
  200.034219 14.331645 143
//