Dataset

Nafcillin; LC-ESI-QTOF; MS2; 140 V

This MassBank record with Accession MSBNK-BAFG-CSL23111016423 contains the MS2 mass spectrum of Nafcillin with the InChIkey GPXLMGHLHQJAGZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)
SMILES CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O
InChI Key GPXLMGHLHQJAGZ-UHFFFAOYSA-N
Molecular Formula C21H22N2O5S
Exact Mass 414.125 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111016423
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Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD068074 ProbesDrugs
    SCHEMBL6462735 SureChEMBL
    23568 PubChem
    The data in this table is sourced from UniChem at EBI.