ACCESSION: MSBNK-EPA-ENTACT_AGILENT000278
RECORD_TITLE: 1,4-Bis(N-isopropylamino)anthraquinone; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,4-Bis(N-isopropylamino)anthraquinone
CH$NAME: DTXSID2041250
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₂N₂O₂
CH$EXACT_MASS: 322.1681279612
CH$SMILES: CC(C)NC1=CC=C(NC(C)C)C2=C1C(=O)C1=CC=CC=C1C2=O
CH$IUPAC: InChI=1S/C20H22N2O2/c1-11(2)21-15-9-10-16(22-12(3)4)18-17(15)19(23)13-7-5-6-8-14(13)20(18)24/h5-12,21-22H,1-4H3
CH$LINK: CAS 14233-37-5
CH$LINK: INCHIKEY BLFZMXOCPASACY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:61719

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$FOCUSED_ION: PRECURSOR_M/Z 323.1754044129
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0090000000-30e2f5dc2161373cd26d
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  224.070605 1.254084 12
  239.081504 2.54945 25
  265.097154 21.687377 216
  280.120629 100.000002 999
  281.128454 28.609157 285
  323.175404 15.375247 153
//