MassBank Record: MSBNK-EPA-ENTACT_AGILENT000796
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000796
RECORD_TITLE: Pyromellitic acid; ESI-QTOF; MS2; CE: 20; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 252.9989907181
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-00di-0900000000-2b05b725901f0662be50
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
77.039674 4.303994 42
121.029503 99.999998 999
165.019332 1.860289 18
//
system version 2.2.8-SNAPSHOT