MassBank Record: MSBNK-EPA-ENTACT_AGILENT002477
ACCESSION: MSBNK-EPA-ENTACT_AGILENT002477
RECORD_TITLE: N-Methylacetoacetamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: N-Methylacetoacetamide
CH$NAME: DTXSID9040138
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO2
CH$EXACT_MASS: 115.0633285391
CH$SMILES: CC(=O)CC(=O)NC
CH$IUPAC: InChI=1S/C5H9NO2/c1-4(7)3-5(8)6-2/h3H2,1-2H3,(H,6,8)
CH$LINK: CAS
20306-75-6
CH$LINK: INCHIKEY
ATWLCPHWYPSRBQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:88483
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$FOCUSED_ION: PRECURSOR_M/Z 116.0706049908
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0006-9000000000-fa5562eafe92e1a92edf
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
32.049476 8.497544 84
41.038577 3.084935 30
43.017841 99.999999 999
43.041651 1.927204 19
43.054227 1.162765 11
56.049476 7.287229 72
58.02874 23.23914 232
59.049141 10.466774 104
70.065126 8.050937 80
85.028406 5.101915 50
98.06004 2.631693 26
//
system version 2.2.8-SNAPSHOT