Dataset

Mandestrobin

This MassBank record with Accession MSBNK-Eawag-EQ01138009 contains the MS2 mass spectrum of Mandestrobin with the InChIkey PDPWCKVFIFAQIQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H23NO3/c1-13-9-10-14(2)17(11-13)23-12-15-7-5-6-8-16(15)18(22-4)19(21)20-3/h5-11,18H,12H2,1-4H3,(H,20,21)
SMILES CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(C(=O)NC)OC
InChI Key PDPWCKVFIFAQIQ-UHFFFAOYSA-N
Molecular Formula C19H23NO3
Exact Mass 313.168 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-Eawag-EQ01138009
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:22:42.324788
MetadataModified 2025-02-09T10:08:09.178131
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10935908 PubChem
15988188 PubChem: Thomson Pharma
J1.733.290B Nikkaji
DTXSID20894968 EPA CompTox Dashboard
SXB20U6Z56 FDA SRS
83208 ChEBI
SCHEMBL182597 SureChEMBL
The data in this table is sourced from UniChem at EBI.