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MassBank Record: KO001762

Ribostamycin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO001762
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

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

PK$SPLASH: splash10-006t-9745300000-723d90d3d0f0f39394a6
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  58.800 24752.5 37
  89.500 29703.0 44
  95.100 44554.5 67
  96.900 668317.5 999
  99.800 99010.0 148
  118.100 321782.5 481
  141.500 34653.5 52
  143.400 29703.0 44
  148.000 54455.5 81
  155.100 29703.0 44
  158.600 29703.0 44
  161.000 183168.5 274
  167.000 64356.5 96
  180.700 14851.5 22
  204.500 24752.5 37
  220.600 34653.5 52
  244.100 34653.5 52
  268.100 14851.5 22
  279.400 14851.5 22
  287.200 133663.5 200
  288.300 74257.5 111
  293.300 34653.5 52
  296.800 19802.0 30
  306.200 84158.5 126
  321.700 440594.5 659
  453.400 297030.0 444
//

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