Spectrum WA000400 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
ignore rel.int. < 5
WA000400
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
585.28574
ZQ, Waters
LC-ESI-Q
MS1
ESI
1.730 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
75 V, 90 V
negative
2.347751439400801
0.645414661347127