| SpectraBase Spectrum ID |
8eZSLEOO2a |
| Name |
Sumatriptan-M (nor-sulfonamide) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 282.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H19N3O2S |
| InChI |
InChI=1S/C13H19N3O2S/c1-16(2)6-5-11-8-15-13-4-3-10(7-12(11)13)9-19(14,17)18/h3-4,7-8,15H,5-6,9H2,1-2H3,(H2,14,17,18) |
| InChIKey |
IZEQRYXPOFFPCG-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NS(CC1=CC=C2C(=C1)C(CCN(C)C)=CN2)(=O)=O |
| 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 |
