Dataset

Amoxicillin

This MassBank record with Accession MSBNK-Waters-WA001750 contains the MS mass spectrum of Amoxicillin with the InChIkey LSQZJLSUYDQPKJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)
SMILES Oc(c3)ccc(c3)C(N)C(=O)NC(C(=O)1)C(S2)N1C(C(O)=O)C(C)(C)2
InChI Key LSQZJLSUYDQPKJ-UHFFFAOYSA-N
Molecular Formula C16H19N3O5S
Exact Mass 365.105 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-WA001750
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:16.188480
MetadataModified 2024-01-11T22:49:16.344861
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD055326 ProbesDrugs
4663997 PubChem
1985485 eMolecules
HMDB0243588 Human Metabolome Database
2171 PubChem
J25.703F Nikkaji
20242183 NMRShiftDB
SCHEMBL226659 SureChEMBL
MCULE-1530410000 Mcule
The data in this table is sourced from UniChem at EBI.