Dataset

MDA

This MassBank record with Accession MSBNK-Waters-WA000403 contains the MS mass spectrum of MDA with the InChIkey NGBBVGZWCFBOGO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
SMILES CC(N)Cc(c1)cc(O2)c(OC2)c1
InChI Key NGBBVGZWCFBOGO-UHFFFAOYSA-N
Molecular Formula C10H13NO2
Exact Mass 179.095 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-WA000403
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:46.176846
MetadataModified 2024-01-11T22:46:46.345683
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1614 PubChem
PD008818 ProbesDrugs
SCHEMBL393456 SureChEMBL
14748325 PubChem: Thomson Pharma
4764-17-4 ACToR
HMDB0041931 Human Metabolome Database
DTXSID40859958 EPA CompTox Dashboard
136573 Brenda
977567 eMolecules
CHEMBL6731 ChEMBL
DB01509 DrugBank
TENAMFETAMINE clinicaltrials
J1.191.662G Nikkaji
J40.084J Nikkaji
166520 ChEBI
J1.191.661I Nikkaji
XJZ28FJ27W FDA SRS
50005247 BindingDB
The data in this table is sourced from UniChem at EBI.