ACCESSION: MSBNK-EPA-ENTACT_AGILENT000470
RECORD_TITLE: 2,5-Dithiobiurea; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,5-Dithiobiurea
CH$NAME: DTXSID8020545
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₆N₄S₂
CH$EXACT_MASS: 150.003387681
CH$SMILES: NC(=S)NNC(N)=S
CH$IUPAC: InChI=1S/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
CH$LINK: CAS 142-46-1
CH$LINK: INCHIKEY KCOYHFNCTWXETP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2724564

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$FOCUSED_ION: PRECURSOR_M/Z 148.9961112293
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4l-9000000000-438ab9afe461fff1fbdc
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  32.980444 5.083937 50
  40.006697 19.395317 193
  41.014522 74.626152 745
  45.975693 2.790951 27
  56.025421 4.968414 49
  57.975693 100.000002 999
  64.952515 1.522674 15
  72.986592 15.645051 156
  75.002242 8.837844 88
  90.013141 1.248279 12
//