Dataset

Ceftiofur; LC-ESI-QTOF; MS2; CE: Ramp 26.1-39.2 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU105101 contains the MS2 mass spectrum of Ceftiofur with the InChIkey ZBHXIWJRIFEVQY-IHMPYVIRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H17N5O7S3/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28)/b23-11-/t12-,16-/m1/s1
SMILES CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)c4ccco4)C(=O)O
InChI Key ZBHXIWJRIFEVQY-IHMPYVIRSA-N
Molecular Formula C19H17N5O7S3
Exact Mass 523.029 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU105101
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MetadataPublished 2015-07-05
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.