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MassBank Record: MSBNK-EPA-ENTACT_AGILENT000193

N,N'-Dibutylurea; ESI-QTOF; MS2; CE: 40; [M+H]+

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

ACCESSION: MSBNK-EPA-ENTACT_AGILENT000193
RECORD_TITLE: N,N'-Dibutylurea; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N'-Dibutylurea
CH$NAME: DTXSID3042188
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H20N2O
CH$EXACT_MASS: 172.1575632751
CH$SMILES: CCCCNC(=O)NCCCC
CH$IUPAC: InChI=1S/C9H20N2O/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
CH$LINK: CAS 1792-17-2
CH$LINK: INCHIKEY AQSQFWLMFCKKMG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:74523

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$FOCUSED_ION: PRECURSOR_M/Z 173.1648397268
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-322d6a4177eedc360d6d
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  29.038577 5.107777 51
  39.022927 9.737204 97
  41.038577 99.999999 999
  44.01309 3.156516 31
  55.054227 1.862892 18
  57.069877 40.38327 403
//

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