ACCESSION: MSBNK-EPA-ENTACT_AGILENT000614
RECORD_TITLE: 4-Amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
CH$NAME: DTXSID0027981
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂N₄OS
CH$EXACT_MASS: 200.0731817647
CH$SMILES: CC(C)(C)C1N=NC(=S)N(N)C1=O
CH$IUPAC: InChI=1S/C7H12N4OS/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h4H,8H2,1-3H3
CH$LINK: CAS 33509-43-2
CH$LINK: INCHIKEY BRJKVQYYNXZRJY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:676486

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$FOCUSED_ION: PRECURSOR_M/Z 199.065905313
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-9000000000-0408be20e43744401f2f
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  57.975693 100 999
  58.004685 2.013772 20
  58.017261 1.056552 10
//