ACCESSION: MSBNK-EPA-ENTACT_AGILENT001597
RECORD_TITLE: 1,3-Benzenediamine; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-00kf-9200000000-73c5522e07d8101b1a06
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  39.022927 6.393496 63
  65.038577 90.95599 908
  66.033826 1.981841 19
  66.046402 1.069237 10
  67.041651 1.272003 12
  80.049476 3.615867 36
  82.065126 4.516681 45
  92.049476 100.000002 999
  93.057301 13.747738 137
  108.0682 14.071328 140
  109.076025 41.72164 416
//