Dataset

Etoposide

This MassBank record with Accession MSBNK-Fiocruz-FIO00431 contains the MS2 mass spectrum of Etoposide with the InChIkey VJJPUSNTGOMMGY-MRVIYFEKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
SMILES c(C(c(c7)cc(OC)c(O)c7OC)4)(c5)c(cc(O6)c5OC6)C(C(C43[H])([H])COC(=O)3)OC(O1)C(C(O)C(O2)([H])C1(COC(C)2)[H])O
InChI Key VJJPUSNTGOMMGY-MRVIYFEKSA-N
Molecular Formula C29H32O13
Exact Mass 588.184 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00431
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:35:46.063111
MetadataModified 2024-01-11T16:35:46.227562
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
32278021 eMolecules
537894 eMolecules
PA449552 PharmGKB
154445 Brenda
98367 Brenda
21602 Brenda
153455 Brenda
49045 Brenda
92457 Brenda
774 Brenda
147647 Brenda
HMDB0014911 Human Metabolome Database
etoposide DailyMed
PD003202 ProbesDrugs
etoposide Atlas
6PLQ3CP4P3 FDA SRS
LSM-6348 LINCS
121471-01-0 ACToR
Etopophos Selleck
14935915 PubChem: Thomson Pharma
14886949 PubChem: Thomson Pharma
36462 PubChem
CHEMBL44657 ChEMBL
DB00773 DrugBank
12013288 PubChem: Drugs of the Future
C01576 KEGG Ligand
EVP PDBe
SAM001246880 NIH Clinical Collection
4911 ChEBI
SCHEMBL4259 SureChEMBL
6815 Guide to Pharmacology
J3.178J Nikkaji
LEZREO CCDC
229441 Brenda
ETOPOSIDE DailyMed
TOPOSAR rxnorm
ETOPOSIDE rxnorm
50127140 BindingDB
ETOPOSIDE clinicaltrials
VP-16-213 clinicaltrials
NSC-141540 clinicaltrials
VEPESID clinicaltrials
TOPOSAR clinicaltrials
HY-13629 MedChemExpress
229442 Brenda
1112 DrugCentral
ZINC000003938684 ZINC
The data in this table is sourced from UniChem at EBI.