| SpectraBase Spectrum ID |
80FzeJ8Uee |
| Name |
2C-T-2-M (sulfone-acetyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 316.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H21NO5S |
| InChI |
InChI=1S/C14H21NO5S/c1-5-21(17,18)13-9-12(19-3)8-11(14(13)20-4)6-7-15-10(2)16/h8-9H,5-7H2,1-4H3,(H,15,16) |
| InChIKey |
RRCOGGOMGXJAJS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CCC1=CC(=CC(S(CC)(=O)=O)=C1OC)OC)C(=O)C |
| 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 |
