| SpectraBase Spectrum ID |
5G5VLHs64uE |
| Name |
S-107-M (sulfone) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 242.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H15NO3S |
| InChI |
InChI=1S/C11H15NO3S/c1-12-5-6-16(13,14)11-4-3-10(15-2)7-9(11)8-12/h3-4,7H,5-6,8H2,1-2H3 |
| InChIKey |
IOVNCGQVVCXNRZ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=C2C(S(CCN(C2)C)(=O)=O)=CC=C1OC |
| 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 |
