Dataset

Carbosulfan

This MassBank record with Accession MSBNK-Eawag-EQ01121402 contains the MS2 mass spectrum of Carbosulfan with the InChIkey JLQUFIHWVLZVTJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3
SMILES CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
InChI Key JLQUFIHWVLZVTJ-UHFFFAOYSA-N
Molecular Formula C20H32N2O3S
Exact Mass 380.213 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-EQ01121402
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:34:49.782982
MetadataModified 2025-02-09T10:05:55.713752
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
27517737 eMolecules
2723669 eMolecules
41384 PubChem
SCHEMBL73138 SureChEMBL
14947160 PubChem: Thomson Pharma
55285-14-8 ACToR
PD011979 ProbesDrugs
V1DGN4AK6G FDA SRS
CHEMBL2228572 ChEMBL
23738 Brenda
ZINC000005513691 ZINC
CB2739296 ChemicalBook
HMDB0249647 Human Metabolome Database
J1.070G Nikkaji
HY-B2015 MedChemExpress
DTXSID5023950 EPA CompTox Dashboard
C18416 KEGG Ligand
38476 ChEBI
The data in this table is sourced from UniChem at EBI.