MassBank Record: MSBNK-EPA-ENTACT_AGILENT000797

Pyromellitic acid; ESI-QTOF; MS2; CE: 10; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000797
RECORD_TITLE: Pyromellitic acid; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: Pyromellitic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₆O₈
CH$EXACT_MASS: 254.0062671698
CH$SMILES: OC(=O)C1=CC(=C(C=C1C(O)=O)C(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
CH$LINK: CAS 89-05-4
CH$LINK: INCHIKEY CYIDZMCFTVVTJO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6961

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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 10

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MS$FOCUSED_ION: PRECURSOR_M/Z 252.9989907181
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-00di-0900000000-cf4220b99a6e20598758
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  121.029503 100.000003 999
  165.019332 37.444286 374
  252.998991 4.566048 45
//