MassBank Record: MSBNK-EPA-ENTACT_AGILENT001157
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001157
RECORD_TITLE: N-Butylurea; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-Butylurea
CH$NAME: DTXSID6020222
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12N2O
CH$EXACT_MASS: 116.0949630199
CH$SMILES: CCCCNC(N)=O
CH$IUPAC: InChI=1S/C5H12N2O/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
CH$LINK: CAS
592-31-4
CH$LINK: INCHIKEY
CNWSQCLBDWYLAN-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:11595
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-d56cf011d971943ca94a
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
29.038577 2.992833 29
39.022927 63.48321 634
41.038577 99.999997 999
43.029075 1.793333 17
44.01309 37.723445 376
55.054227 2.095469 20
57.069877 2.338448 23
61.039639 1.387551 13
//
system version 2.2.8-SNAPSHOT