Dataset

ACENAPHTHYLENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012335 contains the MS mass spectrum of ACENAPHTHYLENE with the InChIkey HXGDTGSAIMULJN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
SMILES	c(c3)cc(C=1)c(c32)c(ccc2)C1
InChI Key	HXGDTGSAIMULJN-UHFFFAOYSA-N
Molecular Formula	C12H8
Exact Mass	152.063 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-JP012335
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:48.431765
MetadataModified	2024-01-11T15:55:48.605673
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
33081	ChEBI
474264	eMolecules
ZINC000001689804	ZINC
HY-W013570	MedChemExpress
DTXSID3023845	EPA CompTox Dashboard
MCULE-4571389115	Mcule
125427	Brenda
CB1665589	ChemicalBook
9161	PubChem
CHEMBL2132328	ChEMBL
15120186	PubChem: Thomson Pharma
PD158308	ProbesDrugs
CB1781056	ChemicalBook
1Z25C36811	FDA SRS
208-96-8	ACToR
34493-60-2	ACToR
J2.561E	Nikkaji
HMDB0247900	Human Metabolome Database
ACENYL	CCDC
10016518	NMRShiftDB
SCHEMBL26037	SureChEMBL
The data in this table is sourced from UniChem at EBI.