ACCESSION: MSBNK-EPA-ENTACT_AGILENT000471
RECORD_TITLE: 2,5-Dithiobiurea; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0ab9-9000000000-f4141ab09d266dc6ec38
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  32.980444 2.402715 24
  40.006697 6.016196 60
  41.014522 23.340676 233
  45.975693 13.148744 131
  56.025421 22.604164 225
  57.975693 99.999994 999
  64.952515 2.08083 20
  72.986592 99.083133 989
  75.002242 43.016177 429
  81.02067 4.244268 42
  83.03632 2.965582 29
  89.947764 4.546604 45
  90.013141 23.594165 235
  115.00839 11.162103 111
//