Dataset

Convolvamine

This MassBank record with Accession MSBNK-RIKEN-PR301572 contains the MS2 mass spectrum of Convolvamine with the InChIkey AEFPCFUCFQBXDQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H23NO4/c1-18-12-5-6-13(18)10-14(9-12)22-17(19)11-4-7-15(20-2)16(8-11)21-3/h4,7-8,12-14H,5-6,9-10H2,1-3H3
SMILES COC1=C(OC)C=C(C=C1)C(=O)OC1CC2CCC(C1)N2C
InChI Key AEFPCFUCFQBXDQ-UHFFFAOYSA-N
Molecular Formula C17H23NO4
Exact Mass 305.374 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-PR301572
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:33:39.552547
MetadataModified 2025-02-09T18:32:26.881943
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
420422 PubChem
500-56-1 ACToR
70018414 NMRShiftDB
PD053421 ProbesDrugs
3868 ChEBI
DTXSID50329455 EPA CompTox Dashboard
C10854 KEGG Ligand
The data in this table is sourced from UniChem at EBI.