Dataset

Claussequinone

This MassBank record with Accession MSBNK-Fiocruz-FIO00285 contains the MS2 mass spectrum of Claussequinone with the InChIkey PDAKXMIQFUHWQC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H14O5/c1-20-16-7-13(18)12(6-14(16)19)10-4-9-2-3-11(17)5-15(9)21-8-10/h2-3,5-7,10,17H,4,8H2,1H3
SMILES COc(c3)c(=O)cc(c(=O)3)C(C1)Cc(c2)c(cc(O)c2)O1
InChI Key PDAKXMIQFUHWQC-UHFFFAOYSA-N
Molecular Formula C16H14O5
Exact Mass 286.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00285
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:43:29.639380
MetadataModified 2024-01-11T16:43:29.814899
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20182157 NMRShiftDB
177044 ChEBI
LMPK12080051 LipidMaps
100072 PubChem
3708-39-2 ACToR
SCHEMBL571133 SureChEMBL
15071963 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.