Dataset

Physostigmine

This MassBank record with Accession MSBNK-RIKEN-PR301428 contains the MS2 mass spectrum of Physostigmine with the InChIkey PIJVFDBKTWXHHD-HIFRSBDPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
SMILES CN=C(O)OC1=CC2=C(C=C1)N(C)[C@H]1N(C)CC[C@@]21C
InChI Key PIJVFDBKTWXHHD-HIFRSBDPSA-N
Molecular Formula C15H21N3O2
Exact Mass 275.352 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301428
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:47.694019
MetadataModified 2024-01-11T20:41:47.867089
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB00981 DrugBank
CHEMBL94 ChEMBL
27953 ChEBI
C06535 KEGG Ligand
PHYSOSTIGMINE SALICYLATE clinicaltrials
PHYSOSTIGMINE clinicaltrials
ANTILIRIUM clinicaltrials
HY-N6608 MedChemExpress
J4.579I Nikkaji
6598 Guide to Pharmacology
50222010 BindingDB
11023 BindingDB
50004000 BindingDB
PHYSOSTIGMINE DailyMed
PHYSOSTIGMINE SALICYLATE rxnorm
PHYSOSTIGMINE SULFATE rxnorm
PHYSOSTIGMINE rxnorm
2159 DrugCentral
DTXSID3023471 EPA CompTox Dashboard
MCULE-2638001883 Mcule
60026266 NMRShiftDB
PD001599 ProbesDrugs
9U1VM840SP FDA SRS
15222048 PubChem: Thomson Pharma
50975-37-6 ACToR
14848555 PubChem: Thomson Pharma
LSM-2558 LINCS
SCHEMBL24044 SureChEMBL
MCULE-9310809074 Mcule
5983 PubChem
510326 eMolecules
29549871 eMolecules
ZINC000091689892 ZINC
1207 Brenda
CB8770121 ChemicalBook
PA450957 PharmGKB
MTBLC27953 Metabolights
physostigmine DailyMed
HMDB0015116 Human Metabolome Database
803 Brenda
The data in this table is sourced from UniChem at EBI.