Dataset

Orcinol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81850 contains the MS mass spectrum of Orcinol with the InChIkey OIPPWFOQEKKFEE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
SMILES	CC1=CC(=CC(=C1)O)O
InChI Key	OIPPWFOQEKKFEE-UHFFFAOYSA-N
Molecular Formula	C7H8O2
Exact Mass	124.052 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81850
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:24:00.026219
MetadataModified	2024-01-11T22:24:00.198263
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C00727	KEGG Ligand
CHEMBL110059	ChEMBL
16536	ChEBI
509035	eMolecules
MCULE-5278471842	Mcule
EWAMAR	CCDC
20035586	NMRShiftDB
J6.215D	Nikkaji
10436	PubChem
PD065281	ProbesDrugs
14793737	PubChem: Thomson Pharma
SCHEMBL68497	SureChEMBL
504-15-4	ACToR
534PMB3438	FDA SRS
DTXSID2060123	EPA CompTox Dashboard
HY-D0168	MedChemExpress
50104667	BindingDB
ZINC000000391826	ZINC
16536	Rhea
MTBLC16536	Metabolights
167963	Brenda
109357	Brenda
101223	Brenda
108430	Brenda
108524	Brenda
CB1682973	ChemicalBook
5196	Brenda
45006	Brenda
The data in this table is sourced from UniChem at EBI.