Dataset

Atropine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00611 contains the MS2 mass spectrum of Atropine with the InChIkey RKUNBYITZUJHSG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
InChI Key RKUNBYITZUJHSG-UHFFFAOYSA-N
Molecular Formula C17H23NO3
Exact Mass 289.168 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-Washington_State_Univ-BML00611
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:15.708785
MetadataModified 2024-01-11T22:25:15.870945
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC104243 Metabolights
86231 BindingDB
MCULE-9094179165 Mcule
104243 ChEBI
3661 PubChem
14922458 PubChem: Thomson Pharma
PD015119 ProbesDrugs
LSM-15608 LINCS
620-61-1 ACToR
101-31-5 ACToR
SCHEMBL2813 SureChEMBL
51-55-8 ACToR
10008977 NMRShiftDB
J721.767F Nikkaji
J23.935F Nikkaji
HMDB0242263 Human Metabolome Database
CHEMBL9751 ChEMBL
732783 eMolecules
The data in this table is sourced from UniChem at EBI.