Dataset

Mebendazole

This MassBank record with Accession MSBNK-Athens_Univ-AU106404 contains the MS2 mass spectrum of Mebendazole with the InChIkey OPXLLQIJSORQAM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
SMILES COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccccc3
InChI Key OPXLLQIJSORQAM-UHFFFAOYSA-N
Molecular Formula C16H13N3O3
Exact Mass 295.096 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-Athens_Univ-AU106404
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:01:08.313060
MetadataModified 2025-02-08T19:07:22.945976
MetadataPublished 2015-09-22
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB00643 DrugBank
CHEMBL685 ChEMBL
6704 ChEBI
MEBENDAZOLE DailyMed
SIYTED CCDC
VERMOX rxnorm
MEBENDAZOLE rxnorm
R 17,635 clinicaltrials
R-17635 clinicaltrials
VERMOX clinicaltrials
HY-17595 MedChemExpress
MEBENDAZOLE clinicaltrials
MEBENDAZOLE POLYMORPH C clinicaltrials
DTXSID4040682 EPA CompTox Dashboard
1641 DrugCentral
ZINC000000121541 ZINC
J2.773A Nikkaji
EMVERM rxnorm
50180753 BindingDB
SAM002548959 NIH Clinical Collection
4030 PubChem
144214057 PubChem: Thomson Pharma
V95 PDBe
PD001898 ProbesDrugs
81G6I5V05I FDA SRS
14898153 PubChem: Thomson Pharma
31431-39-7 ACToR
SCHEMBL15860 SureChEMBL
PA164776669 PharmGKB
LSM-3749 LINCS
511302 eMolecules
740153 eMolecules
77383 Brenda
HMDB0014781 Human Metabolome Database
CB8700094 ChemicalBook
mebendazole DailyMed
MCULE-4133611535 Mcule
The data in this table is sourced from UniChem at EBI.