Dataset

Difebarbamate

This MassBank record with Accession MSBNK-Waters-WA000571 contains the MS mass spectrum of Difebarbamate with the InChIkey GJJRIOLBUILIGK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H42N4O9/c1-4-7-14-38-18-21(40-25(29)35)16-31-23(33)28(6-3,20-12-10-9-11-13-20)24(34)32(27(31)37)17-22(41-26(30)36)19-39-15-8-5-2/h9-13,21-22H,4-8,14-19H2,1-3H3,(H2,29,35)(H2,30,36)
SMILES O(CC(OC(N)=O)CN(C(=O)1)C(N(C(=O)C1(CC)c(c2)cccc2)CC(COCCCC)OC(N)=O)=O)CCCC
InChI Key GJJRIOLBUILIGK-UHFFFAOYSA-N
Molecular Formula C28H42N4O9
Exact Mass 578.295 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000571
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:31:15.947559
MetadataModified 2025-02-09T20:27:52.963491
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J9.004B Nikkaji
DIFEBARBAMATE rxnorm
876 DrugCentral
135839 ChEBI
7EE4K616KK FDA SRS
SCHEMBL1255360 SureChEMBL
16865690 PubChem: Thomson Pharma
71880 PubChem
PD072144 ProbesDrugs
15687-09-9 ACToR
CHEMBL2105563 ChEMBL
The data in this table is sourced from UniChem at EBI.