MassBank Record: KO003960



 Ribostamycin; 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: KO003960
RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 455 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-5039e4481dc6a85bee00 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 73.100 64356.5 16 80.000 158416.0 39 81.800 24752.5 6 83.100 14851.5 4 84.400 54455.5 13 84.900 24752.5 6 95.900 79208.0 19 97.000 59406.0 14 97.900 113861.5 28 101.700 173267.5 42 110.100 39604.0 10 113.900 757426.5 185 143.300 272277.5 66 144.800 212871.5 52 161.000 945545.5 231 163.300 4094063.5 999 169.400 14851.5 4 173.200 74257.5 18 187.200 108911.0 27 205.400 113861.5 28 209.100 64356.5 16 229.500 19802.0 5 239.500 39604.0 10 240.900 29703.0 7 241.600 19802.0 5 259.600 168317.0 41 261.900 49505.0 12 288.800 29703.0 7 291.000 19802.0 5 //