MassBank Record: MSBNK-Keio_Univ-KO009221
ACCESSION: MSBNK-Keio_Univ-KO009221
RECORD_TITLE: Ribostamycin; LC-ESI-IT; MS2; m/z: 455; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, 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$ANNOTATION: m/z struct. num formula mass
161.0 0 1 C6H13N2O3 161.09262
275.1 0 1 C11H19N2O6 275.12431
293.2 1 1 C11H21N2O7 293.13488
295.1 1 1 C11H23N2O7 295.15053
323.1 1 1 C12H27N4O6 323.19306
PK$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
//