| SpectraBase Spectrum ID |
Ee48VVdsDnb |
| Name |
Methadone-M/A (-H2O) |
| Classification |
Drug metabolite, artifact |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
277.183049745 u |
| Formula |
C20H23N |
| InChI |
InChI=1S/C20H23N/c1-4-15-20(16-17(2)21-3,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,17,21H,16H2,1-3H3/t17-/m0/s1 |
| InChIKey |
XOJQUPDUPNATMS-KRWDZBQOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
277.411 g/mol |
| Nominal Mass |
277 u |
| Quality |
795 |
| Retention Index |
2179 |
| SMILES |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C[C@@](NC)(C)[H])C#CC |
| SPLASH |
splash10-0ar3-1940000000-1c7298d3ceace96f0780 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2S)-N-methyl-4,4-diphenylhept-5-yn-2-amine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009318 |
