ACCESSION: MSBNK-EPA-ENTACT_AGILENT001719
RECORD_TITLE: 1H-Isoindole-1,3(2H)-diimine; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1H-Isoindole-1,3(2H)-diimine
CH$NAME: DTXSID0044658
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇N₃
CH$EXACT_MASS: 145.0639972455
CH$SMILES: N=C1NC(=N)C2C=CC=CC1=2
CH$IUPAC: InChI=1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
CH$LINK: CAS 3468-11-9
CH$LINK: INCHIKEY RZVCEPSDYHAHLX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:18980

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 144.0567207938
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9500000000-0ea8bdda0026f23df247
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  41.014522 100.000001 999
  41.039674 2.157618 21
  66.009771 4.396448 43
  102.034923 34.724885 346
  127.030172 1.230431 12
  144.056721 34.904485 348
//