MDMA (Ecstasy)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001052
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001052 contains the MS mass spectrum of MDMA (Ecstasy) with the InChIkey SHXWCVYOXRDMCX-UHFFFAOYSA-N.
Source: MDMA (Ecstasy)
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 |
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SMILES | CNC(C)Cc(c1)cc(O2)c(OC2)c1 |
InChI Key | SHXWCVYOXRDMCX-UHFFFAOYSA-N |
Molecular Formula | C11H15NO2 |
Exact Mass | 193.110 g/mol |
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Additional Information
Field | Value |
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Data last updated | January 11, 2024 |
Metadata last updated | January 11, 2024 |
Created | January 11, 2024 |
Format | HTML |
License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
Id | 0a86f610-b382-4019-90f4-d4645dc5c2e0 |
Package id | msbnk-waters-wa001052 |
Resource type | HTML |
State | active |