Dataset

Ranitidine-S-oxide

This MassBank record with Accession MSBNK-Athens_Univ-AU219304 contains the MS2 mass spectrum of Ranitidine-S-oxide with the InChIkey SKHXRNHSZTXSLP-UKTHLTGXSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
SMILES CN\C(NCCS(=O)CC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O
InChI Key SKHXRNHSZTXSLP-UKTHLTGXSA-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-AU219304
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:21.738766
MetadataModified 2024-01-11T09:48:21.883389
MetadataPublished 2015-12-03
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
26948333 eMolecules
SCHEMBL9051396 SureChEMBL
73851-70-4 ACToR
3033889 PubChem
PD166084 ProbesDrugs
15323549 PubChem: Thomson Pharma
CB7209222 ChemicalBook
The data in this table is sourced from UniChem at EBI.