Dataset

RAN-dm

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET300104 contains the MS2 mass spectrum of RAN-dm with the InChIkey WZLBVRXZNDXPPW-XYOKQWHBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H20N4O3S/c1-13-7-10-3-4-11(19-10)9-20-6-5-15-12(14-2)8-16(17)18/h3-4,8,13-15H,5-7,9H2,1-2H3/b12-8+
SMILES CN/C(NCCSCC1=CC=C(CNC)O1)=C\[N+]([O-])=O
InChI Key WZLBVRXZNDXPPW-XYOKQWHBSA-N
Molecular Formula C12H20N4O3S
Exact Mass 300.126 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-Eawag_Additional_Specs-ET300104
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:49:42.180045
MetadataModified 2025-02-09T11:09:09.326825
MetadataPublished 2016-12-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
27518825 eMolecules
10380064 PubChem
ZINC000022056415 ZINC
SCHEMBL11362623 SureChEMBL
15394950 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.