MassBank Record: KO003961



 Ribostamycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003961
RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute 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: 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 455 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-2900000000-b47b72177e68962c2905 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 55.000 19802.0 17 68.000 84158.5 71 72.800 54455.5 46 79.800 193069.5 162 81.200 19802.0 17 83.400 39604.0 33 84.300 118812.0 100 85.300 103960.5 87 95.900 94059.5 79 97.900 118812.0 100 102.000 351485.5 296 108.000 113861.5 96 109.100 54455.5 46 114.000 490099.5 412 126.300 44554.5 37 132.100 39604.0 33 143.300 54455.5 46 144.900 118812.0 100 146.100 64356.5 54 161.100 217822.0 183 163.200 1188120.0 999 170.500 19802.0 17 187.200 49505.0 42 241.500 19802.0 17 259.700 24752.5 21 276.900 14851.5 12 //