Dataset

Chloramphenicol; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00960 contains the MS2 mass spectrum of Chloramphenicol with the InChIkey WIIZWVCIJKGZOK-RKDXNWHRSA-N.

Chemical Information

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-BML00960
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    23447 BindingDB
    CB3364529 ChemicalBook
    CHLORAMPHENICOL DailyMed
    CB34796861 ChemicalBook
    CHLOROMYCETIN clinicaltrials
    OPHTHOCHLOR clinicaltrials
    CHLOROPTIC clinicaltrials
    CHLORAMPHENICOL clinicaltrials
    HY-B0239 MedChemExpress
    DTXSID7020265 EPA CompTox Dashboard
    589 DrugCentral
    ZINC000000113382 ZINC
    CLMPCL CCDC
    10901 Guide to Pharmacology
    CHLORAMPHENICOL rxnorm
    CHEMBL130 ChEMBL
    CLM PDBe
    17698 ChEBI
    C00918 KEGG Ligand
    955 Brenda
    HMDB0014589 Human Metabolome Database
    17698 Rhea
    chloramphenicol DailyMed
    MTBLC17698 Metabolights
    48900 Brenda
    48899 Brenda
    139482 Brenda
    MCULE-5311202412 Mcule
    SCHEMBL16111 SureChEMBL
    MCULE-7778960570 Mcule
    29538748 eMolecules
    490388 eMolecules
    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
    The data in this table is sourced from UniChem at EBI.