ACCESSION: MSBNK-EPA-ENTACT_AGILENT001695
RECORD_TITLE: sec-Butylurea; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: sec-Butylurea
CH$NAME: DTXSID8027294
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂N₂O
CH$EXACT_MASS: 116.0949630199
CH$SMILES: CCC(C)NC(N)=O
CH$IUPAC: InChI=1S/C5H12N2O/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
CH$LINK: CAS 689-11-2
CH$LINK: INCHIKEY CBRSBDUOPJQVMP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12715

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$SPLASH: splash10-0006-9000000000-79ea6afb747775ffff89
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  29.038577 1.303955 13
  38.015101 1.110119 11
  39.022927 29.222555 291
  41.038577 43.840639 437
  43.029075 2.599782 25
  44.01309 100.000004 999
  44.0369 1.821963 18
  44.049476 2.769901 27
  57.069877 2.338944 23
  61.039639 2.602179 25
//