MassBank Record: MSBNK-EPA-ENTACT_AGILENT000090

1,1,3,3-Tetrabutylurea; ESI-QTOF; MS2; CE: 40; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000090
RECORD_TITLE: 1,1,3,3-Tetrabutylurea; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 1,1,3,3-Tetrabutylurea
CH$NAME: DTXSID7043902
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₆N₂O
CH$EXACT_MASS: 284.2827637855
CH$SMILES: CCCCN(CCCC)C(=O)N(CCCC)CCCC
CH$IUPAC: InChI=1S/C17H36N2O/c1-5-9-13-18(14-10-6-2)17(20)19(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
CH$LINK: CAS 4559-86-8
CH$LINK: INCHIKEY SNDGLCYYBKJSOT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:20691

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 285.2900402372
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0a4i-9000000000-8a37f45740197dc6b05a
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  29.038577 1.32367 13
  41.038577 37.380662 373
  57.069877 99.999996 999
  57.102239 3.536106 35
  57.114816 1.686905 16
//