Dataset

Ajmaline

This MassBank record with Accession MSBNK-Waters-WA002688 contains the MS mass spectrum of Ajmaline with the InChIkey CJDRUOGAGYHKKD-OVXZWHIBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11-,14-,15-,16+,17-,18+,19+,20+/m0/s1
SMILES CCC(C(O)1)C([H])(C2)C([H])(C(O)4)C([H])(C3)N1C([H])2C([H])(N(C)5)C(c(c6)c(ccc6)5)34
InChI Key CJDRUOGAGYHKKD-OVXZWHIBSA-N
Molecular Formula C20H26N2O2
Exact Mass 326.199 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-Waters-WA002688
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:06.079849
MetadataModified 2024-01-11T22:48:06.239765
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB6235145 ChemicalBook
ZINC000008220548 ZINC
CHEMBL5314404 ChEMBL
3000261 PubChem
16098861 PubChem: Thomson Pharma
30512678 eMolecules
PD087837 ProbesDrugs
The data in this table is sourced from UniChem at EBI.