Dataset

Cefoperazone

This MassBank record with Accession MSBNK-Athens_Univ-AU105004 contains the MS2 mass spectrum of Cefoperazone with the InChIkey GCFBRXLSHGKWDP-WJONJSRFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16+,22+/m0/s1
SMILES O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@H](c3ccc(O)cc3)NC(=O)N4C(=O)C(=O)N(CC)CC4)CSc5nnnn5C)C(=O)O
InChI Key GCFBRXLSHGKWDP-WJONJSRFSA-N
Molecular Formula C25H27N9O8S2
Exact Mass 645.142 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-AU105004
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:52:44.805548
MetadataModified 2025-02-08T19:08:47.841222
MetadataPublished 2016-02-21
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
7048632 PubChem
ZINC000003830431 ZINC
The data in this table is sourced from UniChem at EBI.