Dataset

Ondansetron

This MassBank record with Accession MSBNK-Athens_Univ-AU274605 contains the MS2 mass spectrum of Ondansetron with the InChIkey FELGMEQIXOGIFQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
SMILES CN1C2=C(C3=CC=CC=C13)C(=O)C(CN1C=CN=C1C)CC2
InChI Key FELGMEQIXOGIFQ-UHFFFAOYSA-N
Molecular Formula C18H19N3O
Exact Mass 293.153 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU274605
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:47:07.422833
MetadataModified 2025-02-08T19:08:06.484420
MetadataPublished 2019-05-30
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14873468 PubChem: Thomson Pharma
4595 PubChem
PD002938 ProbesDrugs
LSM-1375 LINCS
SCHEMBL4542 SureChEMBL
99614-02-5 ACToR
ondansetron-zofran Selleck
PA450705 PharmGKB
108303-49-7 ACToR
902234 eMolecules
MCULE-9438746800 Mcule
CB6340203 ChemicalBook
ondansetron DailyMed
CB9340204 ChemicalBook
122952 Brenda
CHEMBL46 ChEMBL
SAM002589958 NIH Clinical Collection
C07325 KEGG Ligand
DB00904 DrugBank
S87 PDBe
85330 BindingDB
ONDANSETRON rxnorm
ZUPLENZ rxnorm
ZOFRAN rxnorm
ONDANSETRON HYDROCHLORIDE rxnorm
EUR-1025 clinicaltrials
SN 307 clinicaltrials
SN-307 clinicaltrials
GR 38032F clinicaltrials
GR-38032F clinicaltrials
ZOFRAN clinicaltrials
ZOFRAN ODT clinicaltrials
ONDANSETRON clinicaltrials
ONDANSETRON HYDROCHLORIDE clinicaltrials
ONDANSETRON HYDROCHLORIDE DIHYDRATE clinicaltrials
HY-B0002B MedChemExpress
4AF302ESOS FDA SRS
7773 ChEBI
DTXSID8023393 EPA CompTox Dashboard
1992 DrugCentral
J245.610I Nikkaji
ONDANSETRON DailyMed
HMDB0005035 Human Metabolome Database
2290 Guide to Pharmacology
The data in this table is sourced from UniChem at EBI.