Dataset

9-Nitro-20(S)-camptothecin

This MassBank record with Accession MSBNK-RIKEN-PR305025 contains the MS2 mass spectrum of 9-Nitro-20(S)-camptothecin with the InChIkey VHXNKPBCCMUMSW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3
SMILES CCC1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC=C4N(=O)=O)N=C13)C2=O
InChI Key VHXNKPBCCMUMSW-UHFFFAOYSA-N
Molecular Formula C20H15N3O6
Exact Mass 393.355 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305025
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:03.581219
MetadataModified 2024-01-11T20:42:03.824230
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0257013 Human Metabolome Database
15200290 PubChem
50133936 PubChem: Thomson Pharma
SCHEMBL6426025 SureChEMBL
PD067207 ProbesDrugs
CHEMBL327559 ChEMBL
The data in this table is sourced from UniChem at EBI.