ACCESSION: MSBNK-EPA-ENTACT_AGILENT000722
RECORD_TITLE: 1,4-Dihydroxyanthracene-9,10-dione; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-03di-0090000000-19933b185572dbf56789
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  155.050238 1.454897 14
  167.050238 4.074965 40
  195.045153 5.523453 55
  210.032243 3.196494 31
  211.040068 100.000001 999
  239.034982 49.330271 492
//