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MassBank Record: MSBNK-EPA-ENTACT_AGILENT001376

N,N'-Diethylthiourea; ESI-QTOF; MS2; CE: 20; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001376
RECORD_TITLE: N,N'-Diethylthiourea; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N'-Diethylthiourea
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12N2S
CH$EXACT_MASS: 132.0721191276
CH$SMILES: CCNC(=S)NCC
CH$IUPAC: InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)
CH$LINK: CAS 105-55-5
CH$LINK: INCHIKEY FLVIGYVXZHLUHP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2735009

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$FOCUSED_ION: PRECURSOR_M/Z 133.0793955793
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4j-9000000000-d9144c45af98be7eaa6f
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  46.065126 72.501499 724
  59.990246 100.000004 999
  88.021546 40.182169 401
//

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