ACCESSION: MSBNK-EPA-ENTACT_AGILENT002094
RECORD_TITLE: 6-Phenyl-1,3,5-triazine-2,4-diamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 6-Phenyl-1,3,5-triazine-2,4-diamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₉N₅
CH$EXACT_MASS: 187.0857953241
CH$SMILES: NC1=NC(=NC(N)=N1)C1C=CC=CC=1
CH$IUPAC: InChI=1S/C9H9N5/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H,(H4,10,11,12,13,14)
CH$LINK: CAS 91-76-9
CH$LINK: INCHIKEY GZVHEAJQGPRDLQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7064

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$FOCUSED_ION: PRECURSOR_M/Z 188.0930717758
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-4900000000-ead4783c9f5a748c6ee0
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  43.029075 36.350759 363
  43.054227 1.060803 10
  68.024324 5.048333 50
  85.050873 40.941741 409
  104.049476 50.945487 508
  104.093072 1.514482 15
  121.076025 3.532622 35
  146.071274 8.747375 87
  188.093072 99.999996 999
//