MassBank Record: KO000696



 Daminozide; 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: KO000696
RECORD_TITLE: Daminozide; 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 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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 159 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0007-9100000000-8e60125106efc39967d0 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 42.200 7603968.0 999 51.800 34653.5 5 54.300 198020.0 26 54.900 321782.5 42 59.300 193069.5 25 70.200 44554.5 6 70.900 108911.0 14 72.100 2267329.0 298 87.000 34653.5 5 97.200 3970301.0 522 98.400 559406.5 73 99.000 816832.5 107 100.200 465347.0 61 115.100 1069308.0 140 141.000 465347.0 61 159.200 39604.0 5 //