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
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01112 drugbank
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    KOV rcsb_pdb
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    1821942 surechembl
    5479529 pubchem
    O1R9FJ93ED fdasrs
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    HMDB0015244 hmdb
    DTXSID5022774 comptox
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    Molport-005-938-003 molport
    565 drugcentral
    50422689 bindingdb
    The data in this table is sourced from UniChem at EBI.