MassBank Record: KO000261



 Acetoacetamide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000261
RECORD_TITLE: Acetoacetamide; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A165

CH$NAME: Acetoacetamide CH$NAME: AAA CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H7NO2 CH$EXACT_MASS: 101.04768 CH$SMILES: CC(=O)CC(N)=O CH$IUPAC: InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7) CH$LINK: CAS 5977-14-0 CH$LINK: CHEBI 28515 CH$LINK: KEGG C11106 CH$LINK: NIKKAJI J26.750C CH$LINK: PUBCHEM SID:13288
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 100 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0005-9000000000-1a8182643738b63f1113 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 30.400 14851.5 42 32.300 118812.0 338 41.200 108911.0 310 41.900 59406.0 169 46.300 351485.5 999 49.300 19802.0 56 57.100 113861.5 324 64.400 19802.0 56 66.900 44554.5 127 142.800 54455.5 155 //