ACCESSION: MSBNK-EPA-ENTACT_AGILENT000379
RECORD_TITLE: 2-Aminoanthraquinone; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Aminoanthraquinone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₉NO₂
CH$EXACT_MASS: 223.0633285391
CH$SMILES: NC1C=C2C(=CC=1)C(=O)C1C=CC=CC=1C2=O
CH$IUPAC: InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
CH$LINK: CAS 117-79-3
CH$LINK: INCHIKEY XOGPDSATLSAZEK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8341

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$FOCUSED_ION: PRECURSOR_M/Z 224.0706049908
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00di-0290000000-4db7800b3a802d6ee169
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  58.065126 1.645854 16
  79.054227 2.021468 20
  91.054227 1.511227 15
  93.069877 4.986044 49
  105.033491 3.603065 35
  121.064791 2.15974 21
  130.02874 1.387862 13
  141.069877 1.170935 11
  146.023655 3.530377 35
  165.057301 2.183946 21
  167.072951 6.316652 63
  168.080776 4.680962 46
  178.065126 3.502999 34
  196.07569 1.491319 14
  206.06004 2.784643 27
  224.070605 100 999
//