Dataset

Yohimbinic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00383 contains the MS2 mass spectrum of Yohimbinic acid with the InChIkey AADVZSXPNRLYLV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)
SMILES C1CC(C(C2C1CN3CCC4=C(C3C2)NC5=CC=CC=C45)C(=O)O)O
InChI Key AADVZSXPNRLYLV-UHFFFAOYSA-N
Molecular Formula C20H24N2O3
Exact Mass 340.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00383
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:21:55.217724
MetadataModified 2024-01-11T22:21:55.386321
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3382490 PubChem
PD029303 ProbesDrugs
SCHEMBL1691213 SureChEMBL
630921 PubChem
The data in this table is sourced from UniChem at EBI.