Spectrum NGA02116 for Lincomycin

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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
Carbohydrates
InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1
OJMMVQQUTAEWLP-NOWPCOIGSA-N
C18H34N2O6S
406.21375780799997
OC(=NC(C(O)C)C1OC(SC)C(O)C(O)C1O)C2N(C)CC(CCC)C2

Mass Spectral Metadata

NameValue
NGA02116
2018.04.04
Nogawa T, Okano A, CSRS, RIKEN
BY-CC
Origin: Microbe, Glycosides, Pyrrolidines
406.5455
Agilent 6410 Triple Quadrupole LC/MS system
LC-ESI-QQQ
MS2
positive
2.3440625744536416
0.8655905173026627
[M+H]+
407.22172780799997
0.0 ppm
0.0 Da