ACCESSION: MSBNK-EPA-ENTACT_AGILENT000798
RECORD_TITLE: Pyromellitic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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

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 40

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

PK$SPLASH: splash10-00b9-9600000000-c4ef53082e7079f026c8
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  49.008374 5.32413 53
  51.024024 1.060072 10
  75.024024 84.869494 847
  77.039674 50.04341 499
  92.026763 1.192373 11
  119.013853 2.152244 21
  121.029503 99.999997 999
  147.008768 1.885629 18
//