| SpectraBase Spectrum ID |
GX3kXPUx53A |
| Name |
3-Monoacetylmorphine |
| Classification |
Heroin metabolite, narcotic analgesic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
327.147058156 u |
| Formula |
C19H21NO4 |
| InChI |
InChI=1S/C19H21NO4/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18/h3-6,12-14,18,22H,7-9H2,1-2H3/t12?,13-,14+,18+,19+/m1/s1 |
| InChIKey |
GMLREHXYJDLZOU-JTOJSVBOSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
327.380 g/mol |
| Nominal Mass |
327 u |
| Quality |
968 |
| Retention Index |
2586 |
| SMILES |
O[C@@]1([C@]2([C@]34C5=C(O2)C(=CC=C5C[C@](C3C=C1)(N(CC4)C)[H])OC(=O)C)[H])[H] |
| SPLASH |
splash10-01y6-6962000000-987eff7a4da8f8d025e9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3O-Acetylmorphine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002475 |
