MassBank Record: KO003959



 Ribostamycin; 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: KO003959
RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 455 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0920000000-35dc57b4be88b0eb0f47 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 80.100 64356.5 12 96.000 34653.5 7 98.300 69307.0 13 102.300 54455.5 10 108.000 44554.5 9 110.500 19802.0 4 114.300 400990.5 77 125.900 24752.5 5 131.800 14851.5 3 143.100 331683.5 64 145.200 89109.0 17 161.100 1792081.0 345 163.300 5188124.0 999 165.100 39604.0 8 180.700 9901.0 2 182.400 24752.5 5 187.200 74257.5 14 203.000 79208.0 15 205.200 153465.5 30 239.400 207921.0 40 252.900 14851.5 3 258.800 19802.0 4 259.400 108911.0 21 275.100 74257.5 14 277.600 89109.0 17 288.400 44554.5 9 289.300 118812.0 23 289.500 34653.5 7 290.900 29703.0 6 293.700 118812.0 23 295.400 940595.0 181 301.100 24752.5 5 308.700 39604.0 8 323.700 227723.0 44 455.300 301980.5 58 //