Dataset

MDA

This MassBank record with Accession MSBNK-Waters-WA000402 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-WA000402
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:56.934968
MetadataModified 2024-01-11T22:48:57.097633
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J40.084J Nikkaji
J1.191.661I Nikkaji
J1.191.662G Nikkaji
PD008818 ProbesDrugs
14748325 PubChem: Thomson Pharma
SCHEMBL393456 SureChEMBL
4764-17-4 ACToR
1614 PubChem
136573 Brenda
HMDB0041931 Human Metabolome Database
DTXSID40859958 EPA CompTox Dashboard
50005247 BindingDB
XJZ28FJ27W FDA SRS
TENAMFETAMINE clinicaltrials
166520 ChEBI
DB01509 DrugBank
CHEMBL6731 ChEMBL
977567 eMolecules
The data in this table is sourced from UniChem at EBI.