| SpectraBase Spectrum ID |
8IyfIlNq0aw |
| Name |
Dosulepin-M (HO-aryl-HO-alkyl) isomer-2 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-355.00] |
| 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 |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC1=CC2=C(\C(=C/C(CN(C)C)O)C=3C(CS2)=CC=CC3)C=C1 |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
