Dataset

FLUORENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001594 contains the MS mass spectrum of FLUORENE with the InChIkey NIHNNTQXNPWCJQ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
SMILES	c(c3)cc(C1)c(c3)c(c2)c(ccc2)1
InChI Key	NIHNNTQXNPWCJQ-UHFFFAOYSA-N
Molecular Formula	C13H10
Exact Mass	166.078 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-JP001594
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:09.857684
MetadataModified	2024-01-11T15:56:10.030367
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C07715	KEGG Ligand
CHEMBL16236	ChEMBL
28266	ChEBI
480275	eMolecules
ZINC000000968333	ZINC
HY-W026772	MedChemExpress
238643	Brenda
DTXSID8024105	EPA CompTox Dashboard
6736	Brenda
CB3717011	ChemicalBook
6853	PubChem
PD158298	ProbesDrugs
3Q2UY0968A	FDA SRS
15114528	PubChem: Thomson Pharma
86-73-7	ACToR
2299-68-5	ACToR
84987-80-4	ACToR
SCHEMBL8180	SureChEMBL
9FL	PDBe
10016530	NMRShiftDB
J3.895D	Nikkaji
MCULE-2124580251	Mcule
HMDB0252355	Human Metabolome Database
FLUREN	CCDC
The data in this table is sourced from UniChem at EBI.