MassBank Record: MSBNK-EPA-ENTACT_AGILENT001871

1,2,4-Benzenetricarboxylic acid; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT001871
RECORD_TITLE: 1,2,4-Benzenetricarboxylic acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

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MS$FOCUSED_ION: PRECURSOR_M/Z 209.0091614735
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-00di-0900000000-0844c71c07e5b7af7c62
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  77.039674 5.769883 57
  121.029503 100.000003 999
  165.019332 1.545746 15
//