Spectrum KO009014 for Kanamycin

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
SBUJHOSQTJFQJX-NOAMYHISSA-N
C18H36N4O11
484.238057972
OCC1OC(OC2C(O)C(OC3OC(CN)C(O)C(O)C3O)C(N)CC2N)C(O)C(N)C1O

Mass Spectral Metadata

NameValue
KO009014
2012.10.22 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID K002
484.23806
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS2
0.7
LC/MSD Trap Control and Data Analysis
positive
2.3210439014760023
0.4578985533913546
485
[M+H]+
507.2741690721216 ppm
-0.24602797199997894 Da