ACCESSION: MSBNK-Keio_Univ-KO003959
RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:30 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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 455
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-0920000000-35dc57b4be88b0eb0f47
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  80.100 64356.5 12
  96.000 34653.5 7
  98.300 69307.0 13
  102.300 54455.5 10
  108.000 44554.5 9
  110.500 19802.0 4
  114.300 400990.5 77
  125.900 24752.5 5
  131.800 14851.5 3
  143.100 331683.5 64
  145.200 89109.0 17
  161.100 1792081.0 345
  163.300 5188124.0 999
  165.100 39604.0 8
  180.700 9901.0 2
  182.400 24752.5 5
  187.200 74257.5 14
  203.000 79208.0 15
  205.200 153465.5 30
  239.400 207921.0 40
  252.900 14851.5 3
  258.800 19802.0 4
  259.400 108911.0 21
  275.100 74257.5 14
  277.600 89109.0 17
  288.400 44554.5 9
  289.300 118812.0 23
  289.500 34653.5 7
  290.900 29703.0 6
  293.700 118812.0 23
  295.400 940595.0 181
  301.100 24752.5 5
  308.700 39604.0 8
  323.700 227723.0 44
  455.300 301980.5 58
//