MassBank Record: KO002763



 Daunorubicin; 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: KO002763
RECORD_TITLE: Daunorubicin; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 528 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0329000000-335783119c4b159e65d2 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 71.300 14851.5 15 85.800 59406.0 59 111.700 24752.5 24 113.300 49505.0 49 130.100 222772.5 220 189.100 163366.5 162 197.400 74257.5 73 225.100 59406.0 59 241.400 103960.5 103 263.000 49505.0 49 264.500 34653.5 34 294.100 202970.5 201 304.200 94059.5 93 321.600 1009902.0 999 363.500 257426.0 255 388.600 9901.0 10 //