MassBank Record: MSBNK-EPA-ENTACT_AGILENT000039
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000039
RECORD_TITLE: N,N'-Dimethylthiourea; ESI-QTOF; MS2; CE: 10; [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 10
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-9100000000-312fb2bca7dc11e90a99
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
32.049476 21.795333 217
46.994997 1.004163 10
74.005896 100.000001 999
77.041947 1.482246 14
105.048095 27.251387 272
//
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