Dataset

MDEA

This MassBank record with Accession MSBNK-Waters-WA002294 contains the MS mass spectrum of MDEA with the InChIkey PVXVWWANJIWJOO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3
SMILES CCNC(C)Cc(c1)cc(O2)c(OC2)c1
InChI Key PVXVWWANJIWJOO-UHFFFAOYSA-N
Molecular Formula C12H17NO2
Exact Mass 207.126 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-Waters-WA002294
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:47.296241
MetadataModified 2024-01-11T22:48:47.454247
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD008777 ProbesDrugs
14089-52-2 ACToR
SCHEMBL715096 SureChEMBL
105039 PubChem
15220149 PubChem: Thomson Pharma
82801-81-8 ACToR
DTXSID70860971 EPA CompTox Dashboard
CHEMBL126279 ChEMBL
DB01566 DrugBank
132234 ChEBI
ML1I4KK67B FDA SRS
J263.855J Nikkaji
HMDB0254369 Human Metabolome Database
J1.191.663E Nikkaji
The data in this table is sourced from UniChem at EBI.