| SpectraBase Spectrum ID |
Lkcckrgo8gx |
| Name |
Dosulepin-M (HO-aryl-HO-alkyl-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-325.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H19NOS/c1-20(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-12-15(21)9-10-18(17)19/h4-12H,3,13H2,1-2H3/p+1/b11-5+,17-8- |
| InChIKey |
FVUCKXIRJQHDOP-PONOMODMSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC2=C(\C(=C/C=C/N(C)C)C=3C=CC[CH+]C3CS2)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 |
ms3 |
| Technique |
ITMS |
