MassBank Record: KO000695



 Daminozide; 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: KO000695
RECORD_TITLE: Daminozide; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 159 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0007-5900000000-48b1aa312878d1e22974 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 42.000 1574259.0 37 54.000 153465.5 4 55.100 301980.5 7 58.900 366337.0 9 61.200 24752.5 1 71.000 425743.0 10 72.100 4534658.0 107 85.400 24752.5 1 87.200 49505.0 1 95.900 54455.5 1 97.000 27960424.0 660 98.100 2554458.0 60 99.100 5465352.0 129 100.100 3222775.5 76 112.900 64356.5 2 115.300 19143583.5 452 116.000 59406.0 1 131.200 34653.5 1 140.400 282178.5 7 141.100 42302022.5 999 144.200 39604.0 1 159.300 8163374.5 193 //