Dataset

Cefotaxime

This MassBank record with Accession MSBNK-Waters-WA001738 contains the MS mass spectrum of Cefotaxime with the InChIkey GPRBEKHLDVQUJE-VINNURBNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
SMILES CON=C(c(c3)nc(N)s3)C(=O)NC([H])(C(=O)1)C([H])(S2)N(C(C(O)=O)=C(COC(C)=O)C2)1
InChI Key GPRBEKHLDVQUJE-VINNURBNSA-N
Molecular Formula C16H17N5O7S2
Exact Mass 455.057 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-WA001738
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:12.293892
MetadataModified 2024-01-11T22:48:12.469320
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL102 ChEMBL
3715755 eMolecules
5479527 PubChem
PD063115 ProbesDrugs
16839029 PubChem: Thomson Pharma
63527-52-6 ACToR
5KTC59K32X FDA SRS
MCULE-6008190974 Mcule
J1.582.245G Nikkaji
J271.514G Nikkaji
SCHEMBL15410 SureChEMBL
50335523 BindingDB
ZINC000003830437 ZINC
DTXSID6022761 EPA CompTox Dashboard
13904 Brenda
153384 Brenda
154368 Brenda
417 Brenda
The data in this table is sourced from UniChem at EBI.