ACCESSION: MSBNK-EPA-ENTACT_AGILENT000900
RECORD_TITLE: 2,5-Dimercapto-1,3,4-thiadiazole; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,5-Dimercapto-1,3,4-thiadiazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₂N₂S₃
CH$EXACT_MASS: 149.9380102686
CH$SMILES: SC1=NN=C(S)S1
CH$IUPAC: InChI=1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)
CH$LINK: CAS 1072-71-5
CH$LINK: INCHIKEY BIGYLAKFCGVRAN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2723630

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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 148.9307338169
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4s-9200000000-77eeb6c8a98a20bc1339
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  57.975693 99.999997 999
  72.986592 1.8403 18
  89.947764 95.114223 950
  148.930734 55.800399 557
//