Dataset

9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR301311 contains the MS2 mass spectrum of 9-Nitro-20(S)-camptothecin with the InChIkey VHXNKPBCCMUMSW-FQEVSTJZSA-N.

Chemical Information

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/t20-/m0/s1
SMILES CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC=C4N(=O)=O)N=C13)C2=O
InChI Key VHXNKPBCCMUMSW-FQEVSTJZSA-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-PR301311
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • (19S)-19-ethyl-19-hydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB06159 drugbank
    CHEBI:90225 chebi
    CHEMBL77305 chembl
    29379605 surechembl
    29383355 surechembl
    8640 surechembl
    472335 pubchem
    H19C446XXB fdasrs
    PD072689 probes_and_drugs
    DTXSID7046752 comptox
    NCT00005826 clinicaltrials
    NCT00005869 clinicaltrials
    NCT00005870 clinicaltrials
    NCT00005871 clinicaltrials
    NCT00005872 clinicaltrials
    NCT00005873 clinicaltrials
    NCT00005874 clinicaltrials
    NCT00005875 clinicaltrials
    NCT00005876 clinicaltrials
    NCT00005877 clinicaltrials
    NCT00006026 clinicaltrials
    NCT00006082 clinicaltrials
    NCT00006230 clinicaltrials
    NCT00006267 clinicaltrials
    NCT00113113 clinicaltrials
    NCT00113256 clinicaltrials
    NCT00249990 clinicaltrials
    NCT00250068 clinicaltrials
    Molport-003-850-214 molport
    2411 drugcentral
    50248354 bindingdb
    The data in this table is sourced from UniChem at EBI.