Dataset

Humantenine

This MassBank record with Accession MSBNK-RIKEN-PR300146 contains the MS2 mass spectrum of Humantenine with the InChIkey SJKRPUOXUNOPOP-HEXYGZIHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H26N2O3/c1-4-13-11-22(2)18-10-21(19-9-14(13)15(18)12-26-19)16-7-5-6-8-17(16)23(25-3)20(21)24/h4-8,14-15,18-19H,9-12H2,1-3H3/b13-4+/t14-,15+,18+,19+,21+/m1/s1
SMILES CON1C(=O)[C@@]2(C[C@H]3[C@H]4CO[C@H]2C[C@@H]4\C(CN3C)=C\C)C2=CC=CC=C12
InChI Key SJKRPUOXUNOPOP-HEXYGZIHSA-N
Molecular Formula C21H26N2O3
Exact Mass 354.450 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-PR300146
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:39.814988
MetadataModified 2024-01-11T20:42:39.994380
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
6441960 PubChem
82375-29-9 ACToR
The data in this table is sourced from UniChem at EBI.