ACCESSION: MSBNK-EPA-ENTACT_AGILENT002415
RECORD_TITLE: 1-N-Methyl-5-thiotetrazole; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-N-Methyl-5-thiotetrazole
CH$NAME: DTXSID9051662
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₄N₄S
CH$EXACT_MASS: 116.0156668872
CH$SMILES: CN1NN=NC1=S
CH$IUPAC: InChI=1S/C2H4N4S/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7)
CH$LINK: CAS 13183-79-4
CH$LINK: INCHIKEY XOHZHMUQBFJTNH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2723772

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$FOCUSED_ION: PRECURSOR_M/Z 115.0083904355
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-052f-9000000000-7b4630f2a29ceb427758
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  40.006697 2.26931 22
  42.009771 100.000003 999
  55.030172 1.082215 10
  57.975693 50.580549 505
  71.978767 3.806514 38
//