MassBank Record: KO000694



 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: KO000694
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 159 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-0900000000-86ff66b3963fefbc097b PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 59.000 148515.0 1 60.900 19802.0 1 71.700 24752.5 1 72.300 69307.0 1 97.200 1544556.0 8 98.100 168317.0 1 99.100 623763.0 3 99.800 59406.0 1 115.100 2544557.0 12 125.900 49505.0 1 141.200 43108954.0 210 158.200 113861.5 1 159.100 205371492.5 999 //