Dataset

9Z, 11E-Linoleic acid

This MassBank record with Accession MSBNK-BS-BS004024 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-BS004024
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:22.874206
MetadataModified	2024-01-11T12:35:23.086309
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL1270204	SureChEMBL
J604.211B	Nikkaji
HY-113162	MedChemExpress
CHEMBL4303722	ChEMBL
32608	Brenda
DTXSID1041003	EPA CompTox Dashboard
ZINC000008219019	ZINC
LMFA01030118	LipidMaps
5280644	PubChem
14799656	PubChem: Thomson Pharma
70092931	NMRShiftDB
PD020555	ProbesDrugs
46JZW3MR59	FDA SRS
CB7727830	ChemicalBook
6720813	eMolecules
151065	Brenda
MolPort-009-018-862	MolPort
43678	Brenda
25174	Brenda
72329	Brenda
155375	Brenda
MTBLC32798	Metabolights
HMDB0003797	Human Metabolome Database
32798	ChEBI
C04056	KEGG Ligand
The data in this table is sourced from UniChem at EBI.