ACCESSION: MSBNK-EPA-ENTACT_AGILENT002096
RECORD_TITLE: 6-Phenyl-1,3,5-triazine-2,4-diamine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0f6x-9500000000-8e7a89891133835bcd26
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  43.029075 100.000005 999
  43.054227 3.340697 33
  51.022927 1.569625 15
  68.024324 21.551038 215
  77.038577 27.093833 270
  85.050873 4.860054 48
  104.049476 89.101054 890
  104.093072 2.794955 27
//