ACCESSION: MSBNK-EPA-ENTACT_AGILENT001595
RECORD_TITLE: 1,3-Benzenediamine; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,3-Benzenediamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₈N₂
CH$EXACT_MASS: 108.06874827
CH$SMILES: NC1=CC(N)=CC=C1
CH$IUPAC: InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
CH$LINK: CAS 108-45-2
CH$LINK: INCHIKEY WZCQRUWWHSTZEM-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7935

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 109.0760247217
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-3900000000-fa7755f5869131249c33
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  65.038577 6.739131 67
  92.049476 32.706998 326
  93.057301 2.3127 23
  108.0682 2.318488 23
  109.076025 100.000001 999
//