Dataset

Phacidin

This MassBank record with Accession MSBNK-AAFC-AC000696 contains the MS2 mass spectrum of Phacidin with the InChIkey YTVPBUCDNKECDB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H22O5/c1-3-4-5-6-7-8-9-13(18)15-14(19)10-12(11-17)21-16(15)20-2/h10-11H,3-9H2,1-2H3
SMILES CCCCCCCCC(=O)C1=C(OC(=CC1=O)C=O)OC
InChI Key YTVPBUCDNKECDB-UHFFFAOYSA-N
Molecular Formula C16H22O5
Exact Mass 294.147 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-AAFC-AC000696
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:23:09.570174
MetadataModified 2024-01-11T09:23:09.764672
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
54835-75-5 ACToR
15443438 PubChem: Thomson Pharma
122734 PubChem
DTXSID70891841 EPA CompTox Dashboard
CHEMBL1897695 ChEMBL
J11.930J Nikkaji
89221 BindingDB
ZINC000001762436 ZINC
The data in this table is sourced from UniChem at EBI.