Dataset

Sempervirine

This MassBank record with Accession MSBNK-RIKEN-PR300035 contains the MS2 mass spectrum of Sempervirine with the InChIkey UQVUEULZDJRMJR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-4,7-12H,1-2,5-6H2
SMILES C1CCC2=CC3=C4N=C5C=CC=CC5=C4C=CN3C=C2C1
InChI Key UQVUEULZDJRMJR-UHFFFAOYSA-N
Molecular Formula C19H16N2
Exact Mass 272.351 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-PR300035
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:22.088011
MetadataModified 2024-01-11T20:41:22.274280
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000001583788 ZINC
9104 ChEBI
HY-N7507 MedChemExpress
J1.257.758C Nikkaji
168919 PubChem
14750604 PubChem: Thomson Pharma
SCHEMBL3716210 SureChEMBL
16048072 PubChem: Thomson Pharma
549-92-8 ACToR
6882-99-1 ACToR
60065865 NMRShiftDB
F8O9288136 FDA SRS
C09240 KEGG Ligand
The data in this table is sourced from UniChem at EBI.