ACCESSION: MSBNK-EPA-ENTACT_AGILENT001466
RECORD_TITLE: N,N'-Dibutylthiourea; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N'-Dibutylthiourea
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀N₂S
CH$EXACT_MASS: 188.1347193828
CH$SMILES: CCCCNC(=S)NCCCC
CH$IUPAC: InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
CH$LINK: CAS 109-46-6
CH$LINK: INCHIKEY KFFQABQEJATQAT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2723622

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$FOCUSED_ION: PRECURSOR_M/Z 187.1274429311
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-9000000000-e1ff018b7c70e653b718
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  32.980444 100.000005 999
  57.975693 3.343002 33
  97.077122 1.550417 15
//