ACCESSION: MSBNK-EPA-ENTACT_AGILENT000038
RECORD_TITLE: N,N'-Dimethylthiourea; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-00di-9000000000-dfe7b02b527aed241437
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  32.049476 3.717745 37
  42.033826 2.679963 26
  46.994997 3.867003 38
  58.982421 1.643134 16
  74.005896 99.999997 999
//