Dataset

Ethylbeta-carboline

This MassBank record with Accession MSBNK-RIKEN-PR301340 contains the MS2 mass spectrum of Ethylbeta-carboline with the InChIkey YTQRHYCHEIXUIU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H12N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,15H,2H2,1H3
SMILES CCC1=NC=CC2=C1NC1=CC=CC=C21
InChI Key YTQRHYCHEIXUIU-UHFFFAOYSA-N
Molecular Formula C13H12N2
Exact Mass 196.253 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301340
Version
Author
Maintainer
Language
MetadataCreated 2024-01-15T12:00:43.903071
MetadataModified 2024-01-15T12:00:44.122632
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
K98LP3Z6TC FDA SRS
ZINC000005956084 ZINC
4791504 eMolecules
5324325 PubChem
16155108 PubChem: Thomson Pharma
20127-61-1 ACToR
182548 ChEBI
10018196 NMRShiftDB
SCHEMBL1060136 SureChEMBL
J341.657G Nikkaji
DTXSID80173948 EPA CompTox Dashboard
CHEMBL441986 ChEMBL
The data in this table is sourced from UniChem at EBI.