Dataset

Lagochiline

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81565 contains the MS mass spectrum of Lagochiline with the InChIkey XYPPDQHBNJURHU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3
SMILES CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC(C2(C)CO)O)C
InChI Key XYPPDQHBNJURHU-UHFFFAOYSA-N
Molecular Formula C20H36O5
Exact Mass 356.256 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-BML81565
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:28.210567
MetadataModified 2024-01-11T22:28:28.408883
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3482911 PubChem
70093261 NMRShiftDB
PD029087 ProbesDrugs
182708 ChEBI
DTXSID30392905 EPA CompTox Dashboard
MCULE-9793956649 Mcule
The data in this table is sourced from UniChem at EBI.