ACCESSION: MSBNK-EPA-ENTACT_AGILENT000772
RECORD_TITLE: 1H-Benzo[de]isoquinoline-1,3(2H)-dione; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1H-Benzo[de]isoquinoline-1,3(2H)-dione
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₇NO₂
CH$EXACT_MASS: 197.0476784753
CH$SMILES: O=C1NC(=O)C2=CC=CC3C=CC=C1C=32
CH$IUPAC: InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)
CH$LINK: CAS 81-83-4
CH$LINK: INCHIKEY XJHABGPPCLHLLV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:66491

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 196.0404020236
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-1380db89ab964b077c4c
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  41.998537 100.000001 999
  168.045487 1.49333 14
  196.040402 1.271438 12
//