ACCESSION: MSBNK-EPA-ENTACT_AGILENT000469
RECORD_TITLE: 2,5-Dithiobiurea; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0600-9300000000-c6a39d70cef18285d40e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  41.014522 7.265499 72
  45.975693 1.902364 19
  56.025421 6.87819 68
  57.975693 77.155267 770
  72.986592 100.000002 999
  75.002242 24.679803 246
  81.02067 3.569853 35
  83.03632 1.865245 18
  89.947764 13.764204 137
  90.013141 43.557196 435
  115.00839 88.752095 886
  131.969562 1.433262 14
  148.996111 21.762025 217
//