MassBank Record: KO002800



 Daminozide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002800
RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:50 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 D173

CH$NAME: Daminozide CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H12N2O3 CH$EXACT_MASS: 160.08479 CH$SMILES: CN(C)NC(=O)CCC(O)=O CH$IUPAC: InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11) CH$LINK: CAS 1596-84-5 CH$LINK: KEGG C10996 CH$LINK: NIKKAJI J1.772H CH$LINK: PUBCHEM SID:13179
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 161 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9000000000-e158753673b0aecd9a2d PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 39.100 24752.5 7 42.000 74257.5 21 42.800 49505.0 14 44.100 3589112.5 999 45.200 648515.5 181 55.300 400990.5 112 59.100 554456.0 154 60.800 34653.5 10 70.100 34653.5 10 70.900 34653.5 10 71.900 133663.5 37 73.000 118812.0 33 82.400 54455.5 15 87.200 34653.5 10 //