Spectrum VF-NPL-QEHF000411 for Chloramphenicol

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
C11H12Cl2N2O5
322.012326844
O=N(=O)C1=CC=C(C=C1)C(O)C(N=C(O)C(Cl)Cl)CO
WIIZWVCIJKGZOK-RKDXNWHRSA-N

Mass Spectral Metadata

NameValue
65HCD
120_50_POS_QEHF_186.raw
9
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.227481142377961
0.740739349034459
323.0195922851562
[M+H]+
2.1811644265747687 ppm
-7.045588437790684E-4 Da