ACCESSION: MSBNK-EPA-ENTACT_AGILENT001157
RECORD_TITLE: N-Butylurea; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-d56cf011d971943ca94a
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  29.038577 2.992833 29
  39.022927 63.48321 634
  41.038577 99.999997 999
  43.029075 1.793333 17
  44.01309 37.723445 376
  55.054227 2.095469 20
  57.069877 2.338448 23
  61.039639 1.387551 13
//