ACCESSION: MSBNK-EPA-ENTACT_AGILENT001047
RECORD_TITLE: 4-Amino-1,2,4-triazole; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Amino-1,2,4-triazole
CH$NAME: DTXSID9033058
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₄N₄
CH$EXACT_MASS: 84.0435961572
CH$SMILES: NN1C=NN=C1
CH$IUPAC: InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2
CH$LINK: CAS 584-13-4
CH$LINK: INCHIKEY FMCUPJKTGNBGEC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11432

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$FOCUSED_ION: PRECURSOR_M/Z 85.0508726089
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-f454014ac2872f5cf989
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  28.018175 2.142984 21
  30.021249 1.152839 11
  30.033826 2.68148 26
  31.029075 21.42152 214
  41.013424 6.710299 67
  42.021249 100.000004 999
  43.016498 1.026135 10
  43.029075 63.728344 636
  43.041651 1.248358 12
  55.029075 2.071608 20
  56.0369 5.097313 50
  58.039974 5.38814 53
  69.032149 2.631248 26
  85.050873 5.889726 58
//