Dataset

MDMA (Ecstasy)

This MassBank record with Accession MSBNK-Waters-WA001052 contains the MS mass spectrum of MDMA (Ecstasy) with the InChIkey SHXWCVYOXRDMCX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
SMILES	CNC(C)Cc(c1)cc(O2)c(OC2)c1
InChI Key	SHXWCVYOXRDMCX-UHFFFAOYSA-N
Molecular Formula	C11H15NO2
Exact Mass	193.110 g/mol

Data and Resources

MDMA (Ecstasy)HTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001052
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:43:40.511634
MetadataModified	2025-02-09T20:22:54.627255
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD008854	ProbesDrugs
69610-10-2	ACToR
14748568	PubChem: Thomson Pharma
SCHEMBL44210	SureChEMBL
42542-10-9	ACToR
PA131887008	PharmGKB
DTXSID90860791	EPA CompTox Dashboard
49754	Brenda
1615	PubChem
C07577	KEGG Ligand
CHEMBL43048	ChEMBL
DB01454	DrugBank
1391	ChEBI
MIDOMAFETAMINE	clinicaltrials
KE1SEN21RM	FDA SRS
4574	Guide to Pharmacology
J276.360E	Nikkaji
HMDB0254382	Human Metabolome Database
50010588	BindingDB
The data in this table is sourced from UniChem at EBI.