ACCESSION: MSBNK-EPA-ENTACT_AGILENT000921
RECORD_TITLE: Benzenecarboximidamide; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Benzenecarboximidamide
CH$NAME: DTXSID9044401
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈N₂
CH$EXACT_MASS: 120.06874827
CH$SMILES: NC(=N)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
CH$LINK: CAS 618-39-3
CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 121.0760247217
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0fb9-9000000000-00ddce2fbf030c3f9193
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  43.029075 1.292214 12
  50.015101 1.187271 11
  51.022927 51.804986 517
  77.038577 99.999997 999
  104.049476 12.155794 121
//