Dataset

Ranitidine

This MassBank record with Accession MSBNK-Athens_Univ-AU111505 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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU111505
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:45:43.916824
MetadataModified 2025-02-08T18:58:07.085288
MetadataPublished 2015-12-07
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.