MassBank Record: KO002796



 Daminozide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002796
RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 161 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-398ed66ac41d4d8dd365 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 61.400 1084159.5 10 63.000 29703.0 1 71.000 84158.5 1 74.900 29703.0 1 83.000 79208.0 1 85.400 29703.0 1 87.200 34653.5 1 97.100 44554.5 1 98.200 19802.0 1 101.000 435644.0 4 101.700 34653.5 1 105.000 59406.0 1 107.000 59406.0 1 108.200 24752.5 1 115.100 153465.5 1 116.300 24752.5 1 125.100 49505.0 1 126.200 123762.5 1 129.300 396040.0 4 143.300 29356465.0 275 144.100 1866338.5 18 161.200 106460502.5 999 //