Dataset

Litracen; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00445 contains the MS2 mass spectrum of Litracen with the InChIkey AUZMDLDJTGPIEA-UHFFFAOYSA-N.

Chemical Information

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-FIO00445
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-(10,10-dimethylanthracen-9-ylidene)-N-methylpropan-1-amine
    • 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.