Dataset

Litracen

This MassBank record with Accession MSBNK-Fiocruz-FIO00448 contains the MS2 mass spectrum of Litracen with the InChIkey AUZMDLDJTGPIEA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H23N/c1-20(2)18-12-6-4-9-16(18)15(11-8-14-21-3)17-10-5-7-13-19(17)20/h4-7,9-13,21H,8,14H2,1-3H3
SMILES [H]N(C)CCC=C(c21)c(c3)c(ccc3)C(C)(C)c(cccc2)1
InChI Key AUZMDLDJTGPIEA-UHFFFAOYSA-N
Molecular Formula C20H23N
Exact Mass 277.183 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-FIO00448
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:40:00.697374
MetadataModified 2024-01-11T16:40:00.872234
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J9.634B Nikkaji
DTXSID40199200 EPA CompTox Dashboard
ZINC000004216753 ZINC
82730 PubChem
PD072176 ProbesDrugs
2B3D399IVR FDA SRS
CHEMBL2105126 ChEMBL
5118-30-9 ACToR
SCHEMBL2109078 SureChEMBL
15418040 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.