ACCESSION: MSBNK-EPA-ENTACT_AGILENT000721
RECORD_TITLE: 1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,4-Dihydroxyanthracene-9,10-dione
CH$NAME: 1,4-Dihydroxy-9,10-anthracenedione
CH$NAME: 1,4-dihydroxyanthracene-9,10-dione
CH$NAME: Chinizarin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₈O₄
CH$EXACT_MASS: 240.0422587444
CH$SMILES: OC1=CC=C(O)C2=C1C(=O)C1C=CC=CC=1C2=O
CH$IUPAC: InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
CH$LINK: CAS 81-64-1
CH$LINK: CHEMSPIDER 6433
CH$LINK: INCHIKEY GUEIZVNYDFNHJU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6688

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$FOCUSED_ION: PRECURSOR_M/Z 239.0349822927
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0690000000-d68e038f8c52134cf860
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  65.003288 2.34 23
  101.039674 24.760622 247
  127.055324 15.988038 159
  141.034588 1.060733 10
  153.034588 2.265479 22
  154.042413 6.629178 66
  155.050238 19.907625 198
  167.050238 19.55526 195
  169.029503 1.225066 12
  182.037328 4.280859 42
  183.045153 4.546439 45
  193.029503 1.268804 12
  195.045153 2.474399 24
  209.995857 1.968258 19
  210.032243 99.999997 999
  211.040068 44.69871 446
//