ACCESSION: MSBNK-EPA-ENTACT_AGILENT000279
RECORD_TITLE: 1,4-Bis(N-isopropylamino)anthraquinone; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-014j-0090000000-a7cf996ba482e463d854
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  58.065126 2.277273 22
  210.09134 1.830899 18
  222.09134 1.050041 10
  223.06278 2.496756 24
  223.086589 15.149454 151
  224.070605 7.673619 76
  225.07843 1.178342 11
  236.094414 1.204443 12
  237.102239 5.309387 53
  238.073679 2.661755 26
  239.081504 2.824788 28
  246.09134 2.139198 21
  247.086589 58.793081 587
  247.144104 1.490776 14
  248.070605 3.573298 35
  248.094414 1.824374 18
  249.102239 1.45352 14
  261.102239 1.039223 10
  263.11789 1.320502 13
  265.097154 99.999999 999
  265.158692 4.057574 40
  265.182501 1.747043 17
  266.104979 1.336156 13
  280.120629 1.482583 14
//