| SpectraBase Spectrum ID |
9U6XQziAMK |
| Name |
Dosulepin-M (HO-aryl-HO-alkyl) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 328.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H21NO2S |
| InChI |
InChI=1S/C19H21NO2S/c1-20(2)11-15(22)9-18-16-6-4-3-5-13(16)12-23-19-10-14(21)7-8-17(18)19/h3-10,15,21-22H,11-12H2,1-2H3/b18-9- |
| InChIKey |
AUURAJWULSTYPS-NVMNQCDNSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC2=C(\C(=C/C(CN(C)C)O)C=3C(CS2)=CC=CC3)C=C1 |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
