Dataset

ascr#17

This MassBank record with Accession MSBNK-BGC_Munich-RP010211 contains the MS2 mass spectrum of ascr#17 with the InChIkey NEVPBIQTDNVVMK-CSKARUKUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H30O6/c1-12(9-7-5-3-4-6-8-10-16(20)21)22-17-15(19)11-14(18)13(2)23-17/h8,10,12-15,17-19H,3-7,9,11H2,1-2H3,(H,20,21)/b10-8+
SMILES CC(CCCCCC\C=C\C(O)=O)OC1OC(C)C(O)CC1O
InChI Key NEVPBIQTDNVVMK-CSKARUKUSA-N
Molecular Formula C17H30O6
Exact Mass 330.204 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP010211
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:31:38.572665
MetadataModified 2025-02-09T08:44:51.702499
MetadataPublished 2017-11-29
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
86289688 PubChem
182744 ChEBI
The data in this table is sourced from UniChem at EBI.