ACCESSION: MSBNK-EPA-ENTACT_AGILENT002432
RECORD_TITLE: 1,3-Diiminobenz(f)isoindoline; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,3-Diiminobenz(f)isoindoline
CH$NAME: DTXSID3032751
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₉N₃
CH$EXACT_MASS: 195.0796473093
CH$SMILES: N=C1NC(=N)C2C=C3C=CC=CC3=CC1=2
CH$IUPAC: InChI=1S/C12H9N3/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12(14)15-11/h1-6H,(H3,13,14,15)
CH$LINK: CAS 65558-69-2
CH$LINK: INCHIKEY JAWNWEKHDFBPSG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:171660

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$FOCUSED_ION: PRECURSOR_M/Z 196.086923761
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0900000000-976bbe1e8424958ab1a4
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  77.038577 4.13464 41
  101.038577 1.453778 14
  125.038577 15.644111 156
  152.049476 100.000005 999
  179.060375 20.160327 201
//