Spectrum LU066255 for Chloramphenicol

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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/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1
WIIZWVCIJKGZOK-RKDXNWHRSA-N
C11H12Cl2N2O5
322.012326844
O=N(=O)C1=CC=C(C=C1)C(O)C(N=C(O)C(Cl)Cl)CO

Mass Spectral Metadata

NameValue
Q Exactive Orbitrap (Thermo Scientific)
LC-ESI-QFT
MS2
LU066255
2020.08.19
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E.
CC0
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg
322.0123
ESI
HCD
75
17500
Acquity BEH C18 1.7um, 2.1x150mm (Waters)
90/10 at 0-2 min, 0/100 at 15-20 min, 90/10 at 20.1-30 min
0.20 mL/min
13.753 min
0.1% formic acid
methanol
10598369.55469
loess on assigned fragments and MS1
Peaks with additional N2/O included
RMassBank 2.99.2
negative
1.6534931237329458
0.49104480485742996
321.0051
[M-H]-
0.1531315235973316 ppm
4.915600004551379E-5 Da