Dataset

ZON

This MassBank record with Accession MSBNK-Athens_Univ-AU597003 contains the MS2 mass spectrum of ZON with the InChIkey MBMQEIFVQACCCH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3
SMILES CC1CCCC(=O)CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1
InChI Key MBMQEIFVQACCCH-UHFFFAOYSA-N
Molecular Formula C18H22O5
Exact Mass 318.147 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU597003
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:47:41.587474
MetadataModified 2024-01-11T09:47:41.735735
MetadataPublished 2020-04-11
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
125462 ChEBI
ZEARLN CCDC
HMDB0258416 Human Metabolome Database
165628 PubChem
PD048076 ProbesDrugs
SCHEMBL588842 SureChEMBL
MCULE-8442311118 Mcule
The data in this table is sourced from UniChem at EBI.