MassBank Record: KO001761

Home Search Record Index Data Privacy Imprint

Ribostamycin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO001761
RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:20 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: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N
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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 453
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0udi-3022900000-032879bb09bffc065512
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  59.1 44554.5 24.0
  97.2 623763.0 331.0
  118.3 24752.5 13.0
  154.6 24752.5 13.0
  214.8 49505.0 26.0
  275.5 39604.0 21.0
  287.4 257426.0 137.0
  288.3 163366.0 87.0
  305.5 29703.0 16.0
  306.5 381188.0 202.0
  321.6 168317.0 89.0
  393.3 39604.0 21.0
  453.4 1881190.0 999.0
//