Spectrum KO002415 for Amikacin

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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/C22H43N5O13/c23-2-1-8(29)20(36)27-7-3-6(25)18(39-22-16(34)15(33)13(31)9(4-24)37-22)17(35)19(7)40-21-14(32)11(26)12(30)10(5-28)38-21/h6-19,21-22,28-35H,1-5,23-26H2,(H,27,36)/t6-,7+,8-,9+,10+,11-,12+,13+,14+,15-,16+,17-,18+,19-,21+,22+/m0/s1
LKCWBDHBTVXHDL-RMDFUYIESA-N
C22H43N5O13
585.285736436
OC(=NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC3OC(CO)C(O)C(N)C3O)C(O)CCN

Mass Spectral Metadata

NameValue
KO002415
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
CC BY-NC-SA
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
KEIO_ID A239
585.28574
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
positive
2.337728060166566
0.9114129498759985
586
[M+H]+
501.20552218426536 ppm
-0.2937064359999795 Da