| SpectraBase Spectrum ID |
JFPonHr9wSe |
| Name |
Quetiapine-M/A |
| CAS Registry Number |
3159-07-7 |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
227.040485087 u |
| Formula |
C13H9NOS |
| InChI |
InChI=1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15) |
| InChIKey |
RTERDTBXBYNZIS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
227.281 g/mol |
| Nominal Mass |
227 u |
| Quality |
883 |
| Retention Index |
1802 |
| SMILES |
C1=2C(NC=3C(SC2C=CC=C1)=CC=CC3)=O |
| SPLASH |
splash10-004i-2690000000-e5309c77d8b606b4d285 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5,6-Dihydro-6-oxodibenzo[b,f]-1,4-thiazepine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006214 |
![Benzo[2,3-b]10,11-dihydro-1,5-benzothiazepine](/api/spectrum/JFPonHr9wSe/structure.png?h=300&w=458 "Benzo[2,3-b]10,11-dihydro-1,5-benzothiazepine")
