Dataset

Cefuroxime; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA002988 contains the MS mass spectrum of Cefuroxime with the InChIkey JFPVXVDWJQMJEE-IZRZKJBUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1
SMILES CO/N=C(/C1=CC=CO1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
InChI Key JFPVXVDWJQMJEE-IZRZKJBUSA-N
Molecular Formula C16H16N4O8S
Exact Mass 424.069 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002988
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (6R,7R)-3-(carbamoyloxymethyl)-7-[[(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5479529 PubChem
    60027800 NMRShiftDB
    PD009800 ProbesDrugs
    DB01112 DrugBank
    14758434 PubChem: Thomson Pharma
    SCHEMBL1821942 SureChEMBL
    153012-39-6 ACToR
    KOV PDBe
    16838488 PubChem: Thomson Pharma
    O1R9FJ93ED FDA SRS
    29538669 eMolecules
    ZINC000003871978 ZINC
    CB7707485 ChemicalBook
    cefuroxime DailyMed
    HMDB0015244 Human Metabolome Database
    CEFUROXIME SODIUM rxnorm
    CEFUROXIME rxnorm
    ZINACEF rxnorm
    50422689 BindingDB
    KEFUROX clinicaltrials
    CEFUROXIME clinicaltrials
    CEFUROXIME DailyMed
    10900 Guide to Pharmacology
    ZINACEF clinicaltrials
    LSM-44947 LINCS
    565 DrugCentral
    CEFUROXIME SODIUM clinicaltrials
    J13.093A Nikkaji
    HY-B1256A MedChemExpress
    12015285 PubChem: Drugs of the Future
    CHEMBL1436 ChEMBL
    3515 ChEBI
    C06894 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.