Dataset

Protopine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00244 contains the MS2 mass spectrum of Protopine with the InChIkey GPTFURBXHJWNHR-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
SMILES	CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OCO3
InChI Key	GPTFURBXHJWNHR-UHFFFAOYSA-N
Molecular Formula	C20H19NO5
Exact Mass	353.126 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-BML00244
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:27:54.841466
MetadataModified	2024-01-11T22:27:55.010851
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HMDB0003920	Human Metabolome Database
CB9347526	ChemicalBook
MTBLC16415	Metabolights
16415	Rhea
DTXSID90156282	EPA CompTox Dashboard
10762	Brenda
HY-N0793	MedChemExpress
50286643	BindingDB
ZINC000020111233	ZINC
J40.085H	Nikkaji
PROTPN	CCDC
SCHEMBL178013	SureChEMBL
MCULE-3488414657	Mcule
130-86-9	ACToR
PD056637	ProbesDrugs
4970	PubChem
14754535	PubChem: Thomson Pharma
14827876	PubChem: Thomson Pharma
LSM-3874	LINCS
UIW569HT35	FDA SRS
60026195	NMRShiftDB
CHEMBL453019	ChEMBL
16415	ChEBI
C05189	KEGG Ligand
874033	eMolecules
The data in this table is sourced from UniChem at EBI.