ACCESSION: MSBNK-EPA-ENTACT_AGILENT001697
RECORD_TITLE: sec-Butylurea; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-08fu-9000000000-202796e615e4b03b1f71
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  29.038577 2.222975 22
  39.022927 2.061838 20
  41.038577 45.391049 453
  44.01309 38.371842 383
  57.069877 52.401037 523
  61.039639 99.999999 999
  61.064791 1.922262 19
  61.076025 1.089918 10
  117.102239 2.483439 24
//