ACCESSION: MSBNK-Keio_Univ-KO003960
RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:40 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
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
//