ACCESSION: MSBNK-EPA-ENTACT_AGILENT001154
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 115.0876865682
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-e7c4bf65c78a1abe8ede
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.998537 99.999997 999
  42.022347 1.857305 18
  52.019273 2.829753 28
  59.025086 2.054145 20
  66.034923 2.290557 22
  68.050573 32.235465 322
  97.077122 7.710879 77
  115.087687 2.534684 25
//