| SpectraBase Spectrum ID |
LEJ3Z8ul5ak |
| Name |
2C-T-2-M (O-demethyl-sulfone-acetyl-) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-325.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H19NO5S |
| InChI |
InChI=1S/C13H19NO5S/c1-4-20(17,18)13-8-12(19-3)10(7-11(13)16)5-6-14-9(2)15/h7-8,16H,4-6H2,1-3H3,(H,14,15) |
| InChIKey |
DURNRSLEBWVASD-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
N(CCC=1C(=CC(=C(C1)O)S(=O)(CC)=O)OC)C(C)=O |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
