| SpectraBase Spectrum ID |
6UfQA7z92O |
| Name |
2C-T-2-M (O-demethyl-sulfone-acetyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 302.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H19NO5S |
| InChI |
InChI=1S/C13H19NO5S/c1-4-20(17,18)12-8-11(19-3)7-10(13(12)16)5-6-14-9(2)15/h7-8,16H,4-6H2,1-3H3,(H,14,15) |
| InChIKey |
NTEROQOZKFVYSL-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CCC1=CC(=CC(=C1O)S(CC)(=O)=O)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 |
