MassBank Record: KO001764



 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: KO001764
RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:50 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 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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 453 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9400000000-25d69edef5509834bccd PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 58.000 49505.0 104 59.300 217822.0 458 71.200 24752.5 52 75.200 19802.0 42 79.300 94059.5 198 88.700 49505.0 104 95.400 49505.0 104 97.100 475248.0 999 99.800 118812.0 250 117.800 99010.0 208 118.600 39604.0 83 127.000 44554.5 94 133.900 14851.5 31 137.200 24752.5 52 148.200 29703.0 62 161.300 212871.5 447 164.000 19802.0 42 181.200 49505.0 104 199.300 24752.5 52 //