Dataset

10E, 12Z-Linoleic acid

This MassBank record with Accession MSBNK-BS-BS004004 contains the MS2 mass spectrum of 10E, 12Z-Linoleic acid with the InChIkey GKJZMAHZJGSBKD-NMMTYZSQSA-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/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+
SMILES	CCCCC/C=C\C=C\CCCCCCCCC(=O)O
InChI Key	GKJZMAHZJGSBKD-NMMTYZSQSA-N
Molecular Formula	C18H32O2
Exact Mass	280.240 g/mol

Data and Resources

10E, 12Z-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-BS004004
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:55.640157
MetadataModified	2024-01-11T12:35:55.790226
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB04746	DrugBank
CHEMBL1093743	ChEMBL
ODD	PDBe
26755276	eMolecules
ZINC000012504490	ZINC
LMFA01030125	LipidMaps
DTXSID0040628	EPA CompTox Dashboard
50394662	BindingDB
155374	Brenda
135248	Brenda
17847	Brenda
136938	Brenda
89994	Brenda
68788	Brenda
140916	Brenda
5282800	PubChem
60052527	NMRShiftDB
14799657	PubChem: Thomson Pharma
2420-56-6	ACToR
PD006429	ProbesDrugs
HMDB0005048	Human Metabolome Database
SCHEMBL1810737	SureChEMBL
44526	ChEBI
N151ZM4M27	FDA SRS
J604.212K	Nikkaji
The data in this table is sourced from UniChem at EBI.