MassBank Record: KO009221



 Ribostamycin; LC-ESI-IT; MS2; m/z: 455; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO009221
RECORD_TITLE: Ribostamycin; LC-ESI-IT; MS2; m/z: 455; [M+H]+
DATE: 2011.05.10 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID R016

CH$NAME: Ribostamycin CH$NAME: Vistamycin CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H34N4O10 CH$EXACT_MASS: 454.22749 CH$SMILES: NC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](N)[C@H]1O[C@H]([C@@H](N)2)[C@H](O[C@H](O3)[C@H](O)[C@H](O)[C@@H](CO)3)[C@@H](O)[C@H](N)C2 CH$IUPAC: InChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17-/m1/s1 CH$LINK: CAS 25546-65-0 CH$LINK: CHEBI 10003 CH$LINK: KEGG C01759 CH$LINK: NIKKAJI J20.066B CH$LINK: PUBCHEM SID:4892 CH$LINK: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60
MS$FOCUSED_ION: PRECURSOR_M/Z 455 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-03dj-0692300000-96a814a924db0e1875e1 PK$ANNOTATION: m/z struct. num formula mass 323.1 1 1 C12H27N4O6 323.19306 295.1 1 1 C11H23N2O7 295.15053 293.2 1 1 C11H21N2O7 293.13488 275.1 0 1 C11H19N2O6 275.12431 161.0 0 1 C6H13N2O3 161.09262 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 146.1 2.03 59 161.0 4.78 139 163.0 34.41 999 205.2 3.54 103 239.2 1.23 36 241.2 3.69 107 275.1 4.09 119 293.2 5.78 168 295.1 28.56 829 296.2 6.31 183 323.1 9.66 280 324.4 3.16 92 455.1 3.46 100 456.2 16.00 465 //