Dataset

Bucharaine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00060 contains the MS2 mass spectrum of Bucharaine with the InChIkey PBWIOAMUZKICDN-JLHYYAGUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H25NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,12,17,21,23H,8-9,11H2,1-3H3,(H,20,22)/b13-10+
SMILES C/C(=C\COC1=CC(=O)NC2=CC=CC=C21)/CCC(C(C)(C)O)O
InChI Key PBWIOAMUZKICDN-JLHYYAGUSA-N
Molecular Formula C19H25NO4
Exact Mass 331.178 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-BML00060
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:46.189071
MetadataModified 2024-01-11T22:27:46.353983
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4775032 eMolecules
CHEMBL1338870 ChEMBL
C10649 KEGG Ligand
DTXSID50416758 EPA CompTox Dashboard
3203 ChEBI
SCHEMBL177779 SureChEMBL
J16.792D Nikkaji
60019994 NMRShiftDB
5338262 PubChem
The data in this table is sourced from UniChem at EBI.