Dataset

Rebemide

This MassBank record with Accession MSBNK-Fiocruz-FIO00398 contains the MS2 mass spectrum of Rebemide with the InChIkey JLNGEXDJAQASHD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H15NO/c1-3-12(4-2)11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
SMILES CCN(CC)C(=O)c(c1)cccc1
InChI Key JLNGEXDJAQASHD-UHFFFAOYSA-N
Molecular Formula C11H15NO
Exact Mass 177.115 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-Fiocruz-FIO00398
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:35:36.959015
MetadataModified 2024-01-11T16:35:37.125141
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3Y74433ZXI FDA SRS
180965 ChEBI
1696-17-9 ACToR
15542 PubChem
14818504 PubChem: Thomson Pharma
CB6237033 ChemicalBook
889469 eMolecules
DTXSID0051784 EPA CompTox Dashboard
ZINC000000394108 ZINC
SCHEMBL72112 SureChEMBL
MolPort-001-797-356 MolPort
20026481 NMRShiftDB
MCULE-8846038964 Mcule
J7.563I Nikkaji
The data in this table is sourced from UniChem at EBI.