ACCESSION: MSBNK-EPA-ENTACT_AGILENT002285
RECORD_TITLE: (1,1-Dimethylethyl)urea; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: (1,1-Dimethylethyl)urea
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂N₂O
CH$EXACT_MASS: 116.0949630199
CH$SMILES: CC(C)(C)NC(N)=O
CH$IUPAC: InChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)
CH$LINK: CAS 1118-12-3
CH$LINK: INCHIKEY JLEHSYHLHLHPAL-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:14233

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$SPLASH: splash10-03di-9000000000-b15236e5c37b00c89dc0
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  29.038577 1.125555 11
  41.038577 16.541809 165
  44.01309 29.278971 292
  57.069877 47.6723 476
  61.039639 100.000002 999
  61.064791 2.179383 21
//