Dataset

MEPHENOXALONE TREPIDONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003104 contains the MS mass spectrum of MEPHENOXALONE TREPIDONE with the InChIkey ZMNSRFNUONFLSP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H13NO4/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8/h2-5,8H,6-7H2,1H3,(H,12,13)
SMILES COc(c2)c(ccc2)OCC(C1)OC(=O)N1
InChI Key ZMNSRFNUONFLSP-UHFFFAOYSA-N
Molecular Formula C11H13NO4
Exact Mass 223.084 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-Fac_Eng_Univ_Tokyo-JP003104
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:01.780944
MetadataModified 2024-01-11T15:57:01.957083
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J4.872K Nikkaji
HMDB0254452 Human Metabolome Database
CZ87T54W8W FDA SRS
DORSIFLEX clinicaltrials
CB9887684 ChemicalBook
MEPHENOXALONE clinicaltrials
6257 PubChem
14773628 PubChem: Thomson Pharma
70-07-5 ACToR
SCHEMBL5392 SureChEMBL
CHEMBL2104790 ChEMBL
PD014481 ProbesDrugs
3716044 eMolecules
DB13754 DrugBank
DTXSID9023255 EPA CompTox Dashboard
1693 DrugCentral
134916 ChEBI
The data in this table is sourced from UniChem at EBI.