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MassBank Record: MSBNK-EPA-ENTACT_AGILENT001698

sec-Butylurea; ESI-QTOF; MS2; CE: 10; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001698
RECORD_TITLE: sec-Butylurea; ESI-QTOF; MS2; CE: 10; [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 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$SPLASH: splash10-03xr-9300000000-a2bdc9e13668f4a043a7
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  41.038577 4.045519 40
  44.01309 2.507542 25
  57.069877 19.153611 191
  61.039639 99.999997 999
  61.064791 2.466055 24
  117.102239 50.626514 505
//

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