Dataset

Frequentin

This MassBank record with Accession MSBNK-AAFC-AC000136 contains the MS2 mass spectrum of Frequentin with the InChIkey MHZVWXOKIRZLCJ-XZQMCIKJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,9-12,14,16,18H,2-3,8H2,1H3/b5-4+,7-6+/t10-,11+,12-,14-/m1/s1
SMILES CCC/C=C/C=C/[C@@H]1C[C@H]([C@H](C(=O)[C@H]1C=O)O)O
InChI Key MHZVWXOKIRZLCJ-XZQMCIKJSA-N
Molecular Formula C14H20O4
Exact Mass 252.136 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-AC000136
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:21:41.089949
MetadataModified 2024-01-11T09:21:41.231876
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
23748522 PubChem
ZINC000033914495 ZINC
70108996 NMRShiftDB
The data in this table is sourced from UniChem at EBI.