| SpectraBase Spectrum ID |
BuIGMUiPWN0 |
| Name |
Sumatriptan-M (N-oxide) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 312.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H22N3O3S |
| InChI |
InChI=1S/C14H22N3O3S/c1-15-21(19,20)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2,3)18/h4-5,8-9,15-16,18H,6-7,10H2,1-3H3/q+1 |
| InChIKey |
LYUAJKRNSIPCAK-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C2=CC=C(CS(=O)(=O)NC)C=C2C(CC[N+](C)(C)O)=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 |
