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MassBank Record: MSBNK-EPA-ENTACT_AGILENT001046

4-Amino-1,2,4-triazole; ESI-QTOF; MS2; CE: 10; [M+H]+

Mass Spectrum
30.0040.0050.0060.0070.0080.0090.00m/z0.000200.0400.0600.0800.01000Abundance
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001046
RECORD_TITLE: 4-Amino-1,2,4-triazole; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-000i-9000000000-ff0a5a40b9848d1b0940
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  30.033826 1.543712 15
  31.029075 1.61856 16
  43.029075 1.028686 10
  56.0369 1.32441 13
  58.039974 3.518705 35
  85.050873 100.000003 999
//

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