Dataset

Pilocarpine

This MassBank record with Accession MSBNK-Eawag-EQ01076607 contains the MS2 mass spectrum of Pilocarpine with the InChIkey QCHFTSOMWOSFHM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3
SMILES CCC1C(COC1=O)CC2=CN=CN2C
InChI Key QCHFTSOMWOSFHM-UHFFFAOYSA-N
Molecular Formula C11H16N2O2
Exact Mass 208.121 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-EQ01076607
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:07:49.003659
MetadataModified 2025-02-09T10:07:49.228707
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-8737728813 Mcule
CACXUC CCDC
50238622 BindingDB
HMDB0243539 Human Metabolome Database
CHEMBL4073182 ChEMBL
39460 ChEBI
16191868 PubChem: Thomson Pharma
4819 PubChem
70053961 NMRShiftDB
PD071425 ProbesDrugs
92-13-7 ACToR
SCHEMBL41890 SureChEMBL
The data in this table is sourced from UniChem at EBI.