Dataset

Primuliten

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01014 contains the MS2 mass spectrum of Primuliten with the InChIkey IYBLVRRCNVHZQJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C15H10O3/c16-11-7-4-8-13-15(11)12(17)9-14(18-13)10-5-2-1-3-6-10/h1-9,16H
SMILES	C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=C3O
InChI Key	IYBLVRRCNVHZQJ-UHFFFAOYSA-N
Molecular Formula	C15H10O3
Exact Mass	238.063 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-BML01014
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:26:20.227366
MetadataModified	2024-01-11T22:26:20.398426
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J94.471H	Nikkaji
KEJBAC	CCDC
68112	PubChem
PD001456	ProbesDrugs
15220843	PubChem: Thomson Pharma
491-78-1	ACToR
SCHEMBL158303	SureChEMBL
HY-22024	MedChemExpress
MCULE-2855179981	Mcule
DTXSID90197690	EPA CompTox Dashboard
172638	ChEBI
ZINC000000057676	ZINC
50049385	BindingDB
LMPK12110099	LipidMaps
7498	Brenda
378AE9MHL3	FDA SRS
CB1210129	ChemicalBook
20208268	NMRShiftDB
CHEMBL16807	ChEMBL
539173	eMolecules
The data in this table is sourced from UniChem at EBI.