Dataset

Cryptopine

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81000 contains the MS mass spectrum of Cryptopine with the InChIkey XPOJSWHIKCNLEQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3
SMILES CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C4=C(C=C3)OCO4)OC)OC
InChI Key XPOJSWHIKCNLEQ-UHFFFAOYSA-N
Molecular Formula C21H23NO5
Exact Mass 369.158 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-BML81000
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:37.536483
MetadataModified 2024-01-11T22:28:37.692351
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1339015 ChEMBL
4784003 eMolecules
175571 Brenda
ZINC000019632726 ZINC
DTXSID40197463 EPA CompTox Dashboard
72616 PubChem
60032610 NMRShiftDB
CB9758663 ChemicalBook
14954151 PubChem: Thomson Pharma
482-74-6 ACToR
SCHEMBL178039 SureChEMBL
MW13X5YK4A FDA SRS
MCULE-4680595689 Mcule
J5.982J Nikkaji
CRYPTP CCDC
The data in this table is sourced from UniChem at EBI.