Dataset

Ranitidine-N-oxide

This MassBank record with Accession MSBNK-Athens_Univ-AU219405 contains the MS2 mass spectrum of Ranitidine-N-oxide with the InChIkey DFJVUWAHTQPQCV-MDWZMJQESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3/b13-8+
SMILES CN\C(NCCSCC1=CC=C(C[N+](C)(C)[O-])O1)=C/[N+]([O-])=O
InChI Key DFJVUWAHTQPQCV-MDWZMJQESA-N
Molecular Formula C13H22N4O4S
Exact Mass 330.136 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-AU219405
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:14:39.444951
MetadataModified 2025-02-08T19:13:26.201870
MetadataPublished 2015-12-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB5440962 ChemicalBook
ZINC000022066285 ZINC
14951499 PubChem: Thomson Pharma
73857-20-2 ACToR
3033888 PubChem
HMDB0242120 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.