Dataset

Ranitidine

This MassBank record with Accession MSBNK-Eawag-EA019603 contains the MS2 mass spectrum of Ranitidine with the InChIkey VMXUWOKSQNHOCA-UKTHLTGXSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
SMILES CN\C(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O
InChI Key VMXUWOKSQNHOCA-UKTHLTGXSA-N
Molecular Formula C13H22N4O3S
Exact Mass 314.141 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-Eawag-EA019603
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:36:16.681218
MetadataModified 2025-02-09T10:04:06.230668
MetadataPublished 2014-01-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-6666183486 Mcule
LSM-42886 LINCS
HY-B0693 MedChemExpress
229855 Brenda
229854 Brenda
1234 Guide to Pharmacology
ZINC000001530728 ZINC
50103506 BindingDB
8776 ChEBI
3001055 PubChem
PD009680 ProbesDrugs
14776753 PubChem: Thomson Pharma
66357-35-5 ACToR
237183 BindingDB
PA451224 PharmGKB
CB5480252 ChemicalBook
HMDB0001930 Human Metabolome Database
SCHEMBL825 SureChEMBL
The data in this table is sourced from UniChem at EBI.