Dataset

Nafcillin

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

Chemical Info

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
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T11:57:33.840934
MetadataModified 2024-01-11T11:57:34.005752
MetadataPublished 2023-11-10
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables