MassBank Record: KO000259



 Acetoacetamide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000259
RECORD_TITLE: Acetoacetamide; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 100 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0532-9100000000-bbb2d73faf764253e31e PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 32.400 435644.0 290 39.000 69307.0 46 40.200 34653.5 23 42.300 301980.5 201 46.100 1500001.5 999 57.200 1455447.0 969 59.700 79208.0 53 82.400 529703.5 353 82.900 19802.0 13 100.200 673268.0 448 957.500 49505.0 33 //