ACCESSION: MSBNK-EPA-ENTACT_AGILENT001717
RECORD_TITLE: 1H-Isoindole-1,3(2H)-diimine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-4be88b2703166e63a3d8
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  41.014522 100 999
  41.039674 2.50633 25
  66.009771 22.723691 227
  102.034923 2.141938 21
//