Dataset

Spirotetramat BYI08330-enol

This MassBank record with Accession MSBNK-Eawag-EQ01131057 contains the MS2 mass spectrum of Spirotetramat BYI08330-enol with the InChIkey IDJJHEIUIYGFDX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H23NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,20H,6-9H2,1-3H3,(H,19,21)
SMILES CC1=CC(=C(C=C1)C)C2=C(C3(CCC(CC3)OC)NC2=O)O
InChI Key IDJJHEIUIYGFDX-UHFFFAOYSA-N
Molecular Formula C18H23NO3
Exact Mass 301.168 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-EQ01131057
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:24:12.900935
MetadataModified 2025-02-09T09:55:55.288529
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000101326965 ZINC
J3.138.698E Nikkaji
DTXSID90716123 EPA CompTox Dashboard
54708610 PubChem
16474902 PubChem: Thomson Pharma
SCHEMBL143382 SureChEMBL
The data in this table is sourced from UniChem at EBI.