Spectrum CO000074 for Apramycin

Rating: (*)(*)(*)(*)(*)

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/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8+,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19?,20-,21-/m1/s1
XZNUGFQTQHRASN-XZEBHBPDSA-N
C21H41N5O11
539.280257132
OCC1OC(OC2OC3CC(N)C(OC3C(O)C2NC)OC4C(O)C(O)C(N)CC4N)C(O)C(O)C1N

Mass Spectral Metadata

NameValue
CO000074
Dennis W. Hill, Tzipporah M. Kertesz, Robert Friedman, David F. Grant
CC BY-SA
2016.01.19 (Created 2008.07.15, modified 2012.11.20)
Mass Spectral Metabonomics beyond Elemental Formula: Chemical Database Querying by Matching Experimental with Computational Fragmentation Spectra, http://pubs.acs.org/doi/abs/10.1021/ac800548g
539.28026
Micromass Q-TOF II
LC-ESI-QTOF
MS2
40 eV
ESI
positive
3.523602955777096
0.8186686026985578
540.2882
[M+H]+
0.050217643127885375 ppm
-2.7132000013807556E-5 Da