Dataset

Chloramphenicol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00995 contains the MS2 mass spectrum of Chloramphenicol with the InChIkey WIIZWVCIJKGZOK-RKDXNWHRSA-N.

Chemical Info

molecular Image
InChI 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
SMILES C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
InChI Key WIIZWVCIJKGZOK-RKDXNWHRSA-N
Molecular Formula C11H12Cl2N2O5
Exact Mass 322.012 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00995
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:46.979788
MetadataModified 2024-01-11T22:27:47.146000
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL130 ChEMBL
CLM PDBe
17698 ChEBI
C00918 KEGG Ligand
29538748 eMolecules
490388 eMolecules
ZINC000000113382 ZINC
589 DrugCentral
DTXSID7020265 EPA CompTox Dashboard
HY-B0239 MedChemExpress
CHLORAMPHENICOL clinicaltrials
CHLOROPTIC clinicaltrials
OPHTHOCHLOR clinicaltrials
CHLOROMYCETIN clinicaltrials
CHLORAMPHENICOL rxnorm
CHLORAMPHENICOL DailyMed
CB34796861 ChemicalBook
10901 Guide to Pharmacology
CB3364529 ChemicalBook
23447 BindingDB
MTBLC17698 Metabolights
chloramphenicol DailyMed
17698 Rhea
HMDB0014589 Human Metabolome Database
139482 Brenda
955 Brenda
48899 Brenda
48900 Brenda
15000217 PubChem: Thomson Pharma
5959 PubChem
60022187 NMRShiftDB
PD010022 ProbesDrugs
66974FR9Q1 FDA SRS
chloramphenicol Atlas
14801512 PubChem: Thomson Pharma
LSM-5256 LINCS
2787-09-9 ACToR
137731-90-9 ACToR
Chloramphenicol(Chloromycetin) Selleck
DB00446 DrugBank
SCHEMBL16111 SureChEMBL
MCULE-5311202412 Mcule
CLMPCL CCDC
MCULE-7778960570 Mcule
The data in this table is sourced from UniChem at EBI.