ACCESSION: MSBNK-EPA-ENTACT_AGILENT000037
RECORD_TITLE: N,N'-Dimethylthiourea; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N'-Dimethylthiourea
CH$NAME: DTXSID2042191
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₈N₂S
CH$EXACT_MASS: 104.040819
CH$SMILES: CNC(=S)NC
CH$IUPAC: InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
CH$LINK: CAS 534-13-4
CH$LINK: INCHIKEY VLCDUOXHFNUCKK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2723631

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 105.0480954517
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-05fr-9000000000-d204a448b47ebb92f92a
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  32.049476 3.006419 30
  42.033826 11.890847 118
  42.046402 1.080957 10
  44.049476 2.107237 21
  44.979347 6.281714 62
  46.994997 35.068381 350
  51.026297 1.342485 13
  55.029075 1.098962 10
  56.0369 1.218185 12
  57.044725 29.891861 298
  58.982421 65.255516 651
  74.005896 99.999998 999
//