MassBank Record: KO002764



 Daunorubicin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002764
RECORD_TITLE: Daunorubicin; LC-ESI-QQ; MS2; CE:40 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 D106

CH$NAME: Daunorubicin CH$NAME: Daunomycin CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H29NO10 CH$EXACT_MASS: 527.17915 CH$SMILES: Oc(c34)c(c1c(O)c3c(c(c(OC)5)c(ccc5)c4=O)=O)C[C@](C(C)=O)(C[C@@H]1OC(C2)O[C@@H](C)[C@@H](O)[C@@H](N)2)O CH$IUPAC: InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3 CH$LINK: CAS 20830-81-3 CH$LINK: KEGG C01907 CH$LINK: NIKKAJI J3.149F CH$LINK: PUBCHEM SID:5016
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 528 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-1419000000-ebf7bf5d0f2fae87a9e2 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 71.900 79208.0 85 85.900 69307.0 74 95.400 19802.0 21 112.900 74257.5 79 130.400 133663.5 143 167.000 9901.0 11 189.300 84158.5 90 197.100 133663.5 143 241.400 79208.0 85 244.500 34653.5 37 321.400 935644.5 999 362.900 34653.5 37 //