ACCESSION: MSBNK-EPA-ENTACT_AGILENT001158
RECORD_TITLE: N-Butylurea; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Butylurea
CH$NAME: DTXSID6020222
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂N₂O
CH$EXACT_MASS: 116.0949630199
CH$SMILES: CCCCNC(N)=O
CH$IUPAC: InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
CH$LINK: CAS 592-31-4
CH$LINK: INCHIKEY CNWSQCLBDWYLAN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11595

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$FOCUSED_ION: PRECURSOR_M/Z 117.1022394716
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-066r-9600000000-9a9c737f922952575883
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  41.038577 17.482809 174
  44.01309 1.191537 11
  57.069877 65.028993 649
  57.102239 1.278272 12
  61.039639 13.481241 134
  74.096426 31.145703 311
  117.102239 100.000006 999
//