Dataset

Camptothecin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80871 contains the MS mass spectrum of Camptothecin with the InChIkey VSJKWCGYPAHWDS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3
SMILES CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
InChI Key VSJKWCGYPAHWDS-UHFFFAOYSA-N
Molecular Formula C20H16N2O4
Exact Mass 348.111 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-BML80871
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:26.859827
MetadataModified 2024-01-11T22:24:27.049987
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL276820 ChEMBL
722521 eMolecules
2538 PubChem
60015866 NMRShiftDB
14925257 PubChem: Thomson Pharma
LSM-1442 LINCS
PD046092 ProbesDrugs
HMDB0245602 Human Metabolome Database
MCULE-8069978843 Mcule
J442.006C Nikkaji
SCHEMBL2298909 SureChEMBL
50045363 BindingDB
DTXSID30274373 EPA CompTox Dashboard
91620 ChEBI
The data in this table is sourced from UniChem at EBI.