ACCESSION: MSBNK-EPA-ENTACT_AGILENT001103
RECORD_TITLE: 1,4-Diaminoanthraquinone; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-001i-9200000000-dca5f3e2fde3b7eb1aef
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  39.01035 10.94536 109
  61.007276 2.78322 27
  83.00018 100.000002 999
  83.036565 1.770026 17
  83.999451 1.048076 10
  101.99744 15.095815 150
  105.033491 2.273081 22
  117.020915 10.173193 101
  139.054227 1.120898 11
  140.049476 2.256521 22
  161.013424 1.283992 12
  166.065126 3.51264 35
  167.072951 1.15039 11
  192.0682 1.66569 16
  238.073679 1.765982 17
//