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MassBank Record: KO009221

Ribostamycin; LC-ESI-IT; MS2; m/z: 455; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: 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
//

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