ACCESSION: MSBNK-EPA-ENTACT_AGILENT000004
RECORD_TITLE: 1,4-Bis(butylamino)anthracene-9,10-dione; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,4-Bis(butylamino)anthracene-9,10-dione
CH$NAME: DTXSID5044605
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₆N₂O₂
CH$EXACT_MASS: 350.1994280888
CH$SMILES: CCCCNC1=CC=C(NCCCC)C2=C1C(=O)C1C=CC=CC=1C2=O
CH$IUPAC: InChI=1S/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3
CH$LINK: CAS 17354-14-2
CH$LINK: INCHIKEY OCQDPIXQTSYZJL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3766139

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$FOCUSED_ION: PRECURSOR_M/Z 351.2067045405
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0090000000-37af9fef625ae974c8fa
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  196.07569 2.397506 23
  223.06278 3.373885 33
  223.086589 18.693857 186
  224.070605 1.61562 16
  225.07843 1.257928 12
  251.081504 100.000001 999
  251.143042 2.671863 26
  251.166851 1.185169 11
  252.089329 1.231495 12
//