ACCESSION: MSBNK-EPA-ENTACT_AGILENT001101
RECORD_TITLE: 1,4-Diaminoanthraquinone; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,4-Diaminoanthraquinone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₀N₂O₂
CH$EXACT_MASS: 238.0742275784
CH$SMILES: NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O
CH$IUPAC: InChI=1S/C14H10N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,15-16H2
CH$LINK: CAS 128-95-0
CH$LINK: INCHIKEY FBMQNRKSAWNXBT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:31420

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 239.0815040301
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-0910000000-f2733b23fa6b4fbe60c4
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  61.007276 4.338727 43
  83.00018 6.645423 66
  101.99744 1.731079 17
  113.013424 1.292065 12
  117.020915 17.913261 178
  161.013424 99.999996 999
  161.059706 1.701077 16
  162.010016 1.053371 10
  239.081504 16.540984 165
//