Dataset

9Z, 11E-Linoleic acid

This MassBank record with Accession MSBNK-BS-BS004022 contains the MS2 mass spectrum of 9Z, 11E-Linoleic acid with the InChIkey JBYXPOFIGCOSSB-GOJKSUSPSA-N.

Chemical Info

InChI	InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9-
SMILES	C(C(C(C(C(C(/C(=C(/C(=C(\C(C(C(C(C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])/[H])/[H])\[H])/[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H]
InChI Key	JBYXPOFIGCOSSB-GOJKSUSPSA-N
Molecular Formula	C18H32O2
Exact Mass	280.240 g/mol

Data and Resources

9Z, 11E-Linoleic acidHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS004022
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:36:39.783423
MetadataModified	2024-01-11T12:36:39.946671
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
32798	ChEBI
C04056	KEGG Ligand
ZINC000008219019	ZINC
DTXSID1041003	EPA CompTox Dashboard
LMFA01030118	LipidMaps
32608	Brenda
CHEMBL4303722	ChEMBL
HY-113162	MedChemExpress
CB7727830	ChemicalBook
6720813	eMolecules
151065	Brenda
HMDB0003797	Human Metabolome Database
25174	Brenda
72329	Brenda
155375	Brenda
MTBLC32798	Metabolights
43678	Brenda
5280644	PubChem
14799656	PubChem: Thomson Pharma
46JZW3MR59	FDA SRS
70092931	NMRShiftDB
PD020555	ProbesDrugs
J604.211B	Nikkaji
SCHEMBL1270204	SureChEMBL
The data in this table is sourced from UniChem at EBI.