Dataset

Protopine

This MassBank record with Accession MSBNK-RIKEN-PR301850 contains the MS2 mass spectrum of Protopine with the InChIkey GPTFURBXHJWNHR-UHFFFAOYSA-N.

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(OCO3)C=C2C(=O)CC2=C(C1)C1=C(OCO1)C=C2
InChI Key	GPTFURBXHJWNHR-UHFFFAOYSA-N
Molecular Formula	C20H19NO5
Exact Mass	353.374 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301850
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:29:06.038930
MetadataModified	2025-02-09T18:28:48.792395
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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