ACCESSION: MSBNK-EPA-ENTACT_AGILENT001346
RECORD_TITLE: 1H-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$NAME: 1H-1,2,4-Triazole
CH$NAME: DTXSID6027131
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₃N₃
CH$EXACT_MASS: 69.0326971179
CH$SMILES: C1=NNC=N1
CH$IUPAC: InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
CH$LINK: CAS 288-88-0
CH$LINK: INCHIKEY NSPMIYGKQJPBQR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9257

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 68.0254206662
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-52d42627e5fdb10b3427
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  39.011448 2.042831 20
  40.006697 54.873359 548
  40.019273 13.286373 132
  41.014522 100.000001 999
  66.009771 27.917163 278
  68.025421 29.33376 293
//