Dataset

Brefeldin A

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80836 contains the MS mass spectrum of Brefeldin A with the InChIkey KQNZDYYTLMIZCT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3
SMILES CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O
InChI Key KQNZDYYTLMIZCT-UHFFFAOYSA-N
Molecular Formula C16H24O4
Exact Mass 280.167 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-BML80836
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:40.815211
MetadataModified 2024-01-11T22:25:40.990133
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-1898871437 Mcule
91555 ChEBI
HMDB0242339 Human Metabolome Database
SCHEMBL4967944 SureChEMBL
BREFEL CCDC
2430 PubChem
PD045450 ProbesDrugs
LSM-1349 LINCS
CHEMBL1502250 ChEMBL
The data in this table is sourced from UniChem at EBI.