MassBank Record: KO002798



 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: KO002798
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 161 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9200000000-a52b49419afc8fadde56 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 44.100 4648519.5 999 44.900 2336636.0 502 54.300 49505.0 11 55.100 589109.5 127 56.400 29703.0 6 57.800 44554.5 10 58.200 207921.0 45 59.000 445545.0 96 61.100 2717824.5 584 69.900 74257.5 16 70.900 118812.0 26 71.800 1509902.5 324 73.100 1099011.0 236 82.000 579208.5 124 84.100 113861.5 24 85.200 64356.5 14 86.100 49505.0 11 87.300 712872.0 153 88.100 19802.0 4 90.700 9901.0 2 98.000 153465.5 33 98.700 94059.5 20 99.900 504951.0 109 100.900 950496.0 204 112.500 29703.0 6 115.100 965347.5 207 115.900 39604.0 9 126.400 74257.5 16 140.900 59406.0 13 142.900 1603962.0 345 160.900 9901.0 2 //