Dataset

L-FENCHONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007653 contains the MS mass spectrum of L-FENCHONE with the InChIkey LHXDLQBQYFFVNW-OIBJUYFYSA-N.

Chemical Info

InChI	InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
SMILES	O=C(C(C)21)C(C)(C)C([H])(CC2)C1
InChI Key	LHXDLQBQYFFVNW-OIBJUYFYSA-N
Molecular Formula	C10H16O
Exact Mass	152.120 g/mol

Data and Resources

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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-JP007653
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:14.903884
MetadataModified	2024-01-11T15:55:15.079542
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
36612	ChEBI
1013946	eMolecules
J209.323E	Nikkaji
ACIDUL	CCDC
SCHEMBL527930	SureChEMBL
16081065	PubChem: Thomson Pharma
82229	PubChem
70128809	NMRShiftDB
PD143836	ProbesDrugs
11000-29-6	ACToR
CB0506254	ChemicalBook
DTXSID30884431	EPA CompTox Dashboard
MTBLC36612	Metabolights
HY-N5132	MedChemExpress
K6G5Y2Y3Q2	FDA SRS
LMPR0102120031	LipidMaps
4Q6W8568TG	FDA SRS
DB15918	DrugBank
ZINC000000967570	ZINC
The data in this table is sourced from UniChem at EBI.