Dataset

(E)-3,7-DIMETHYL-2,6-OCTADIENAL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005516 contains the MS mass spectrum of (E)-3,7-DIMETHYL-2,6-OCTADIENAL with the InChIkey WTEVQBCEXWBHNA-JXMROGBWSA-N.

Chemical Info

InChI	InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
SMILES	O=CC([H])=C(C)CCC=C(C)C
InChI Key	WTEVQBCEXWBHNA-JXMROGBWSA-N
Molecular Formula	C10H16O
Exact Mass	152.120 g/mol

Data and Resources

(E)-3,7-DIMETHYL-2,6-OCTADIENALHTML
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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-Fac_Eng_Univ_Tokyo-JP005516
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:18.944584
MetadataModified	2024-01-11T15:56:19.102687
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
638011	PubChem
PD051069	ProbesDrugs
15146888	PubChem: Thomson Pharma
250599-19-0	ACToR
758ZMW724E	FDA SRS
MCULE-9879493059	Mcule
EMIVUU	CCDC
J3.073B	Nikkaji
6327	Guide to Pharmacology
10016285	NMRShiftDB
J2.026E	Nikkaji
SCHEMBL23073	SureChEMBL
4013	Brenda
HMDB0035078	Human Metabolome Database
163739	Brenda
16980	Rhea
DTXSID20881217	EPA CompTox Dashboard
CB8364074	ChemicalBook
GRQ	PDBe
108237	Brenda
3012	Brenda
25246	Brenda
104744	Brenda
MTBLC16980	Metabolights
ZINC000001529208	ZINC
CB1875005	ChemicalBook
LMPR0102010003	LipidMaps
CB5364073	ChemicalBook
HY-N7083	MedChemExpress
GERANIAL	rxnorm
CHEMBL1080997	ChEMBL
C01499	KEGG Ligand
16980	ChEBI
493765	eMolecules
The data in this table is sourced from UniChem at EBI.