ACCESSION: MSBNK-EPA-ENTACT_AGILENT001866
RECORD_TITLE: 1,2,4-Benzenetricarboxylic acid; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,2,4-Benzenetricarboxylic acid
CH$NAME: DTXSID3021487
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₆O₆
CH$EXACT_MASS: 210.0164379252
CH$SMILES: OC(=O)C1C=CC(=CC=1C(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
CH$LINK: CAS 528-44-9
CH$LINK: INCHIKEY ARCGXLSVLAOJQL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:10708

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$FOCUSED_ION: PRECURSOR_M/Z 211.0237143769
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-053r-9300000000-443a8cd74159707e71ac
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  41.038577 2.86032 28
  43.017841 3.976151 39
  44.025666 1.326512 13
  45.033491 5.066977 50
  53.038577 39.275792 392
  55.017841 26.200092 261
  55.054227 1.984633 19
  63.022927 1.465155 14
  67.054227 1.659637 16
  68.997106 5.119043 51
  77.038577 7.999891 79
  81.018235 1.430661 14
  81.033491 99.999997 999
  82.02606 1.290699 12
  91.017841 12.191079 121
  105.033491 2.183824 21
  107.012756 19.820034 198
  109.028406 33.018756 329
  119.012756 6.287297 62
  121.028406 1.16241 11
  127.038971 1.725273 17
  137.02332 8.460073 84
  165.018235 3.931195 39
  193.01315 1.439129 14
//