ACCESSION: MSBNK-EPA-ENTACT_AGILENT000381
RECORD_TITLE: 2-Aminoanthraquinone; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-00di-0090000000-7f2c7f1cb696a8bf0873
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  58.065126 1.055712 10
  165.057301 2.272827 22
  224.070605 100.000005 999
//