ACCESSION: MSBNK-EPA-ENTACT_AGILENT002024
RECORD_TITLE: 1,3-Diphenylguanidine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1,3-Diphenylguanidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₃N₃
CH$EXACT_MASS: 211.1109474369
CH$SMILES: N=C(NC1C=CC=CC=1)NC1C=CC=CC=1
CH$IUPAC: InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
CH$LINK: CAS 102-06-7
CH$LINK: INCHIKEY OWRCNXZUPFZXOS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7594

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$FOCUSED_ION: PRECURSOR_M/Z 212.1182238886
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9100000000-a481286efca21ced5a8d
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  51.022927 5.384436 53
  65.038577 9.455969 94
  77.038577 99.999999 999
  92.049476 15.710781 156
  93.057301 1.034945 10
  94.065126 18.544395 185
  119.060375 20.460297 204
//