Dataset

Cyclopentolate

This MassBank record with Accession MSBNK-Eawag-EQ01076405 contains the MS2 mass spectrum of Cyclopentolate with the InChIkey SKYSRIRYMSLOIN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3
SMILES CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O
InChI Key SKYSRIRYMSLOIN-UHFFFAOYSA-N
Molecular Formula C17H25NO3
Exact Mass 291.183 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01076405
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:56:03.176596
MetadataModified 2025-02-09T09:56:03.350416
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL132500 SureChEMBL
PD009608 ProbesDrugs
2905 PubChem
512-15-2 ACToR
15270905 PubChem: Thomson Pharma
LSM-1800 LINCS
AK-PENTOLATE clinicaltrials
36554207 eMolecules
cyclopentolate DailyMed
HMDB0015114 Human Metabolome Database
PA164743019 PharmGKB
CHEMBL1201338 ChEMBL
4024 ChEBI
C06932 KEGG Ligand
DB00979 DrugBank
CYCLOPENTOLATE DailyMed
82375 BindingDB
CYCLOGYL rxnorm
CYCLOPENTOLATE HYDROCHLORIDE rxnorm
PENTOLAIR clinicaltrials
CYCLOGYL clinicaltrials
CYCLOPENTOLATE clinicaltrials
CYCLOPENTOLATE HYDROCHLORIDE clinicaltrials
CB9707085 ChemicalBook
CYLATE clinicaltrials
I76F4SHP7J FDA SRS
DTXSID3048528 EPA CompTox Dashboard
757 DrugCentral
J264.905E Nikkaji
7153 Guide to Pharmacology
J264.904G Nikkaji
J6.274J Nikkaji
CYCLOPENTOLATE rxnorm
The data in this table is sourced from UniChem at EBI.