MassBank Record: KO000260



 Acetoacetamide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000260
RECORD_TITLE: Acetoacetamide; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 100 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0532-9000000000-8e3315d48ba449c46726 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 32.300 351485.5 533 34.700 14851.5 23 40.400 64356.5 98 42.000 193069.5 293 45.900 658416.5 999 48.800 74257.5 113 57.100 376238.0 571 63.800 19802.0 30 66.900 19802.0 30 82.400 242574.5 368 //