| SpectraBase Spectrum ID |
7pqnPcDhc8 |
| Name |
2C-T-7-M (HO-acetyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 314.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H23NO4S |
| InChI |
InChI=1S/C15H23NO4S/c1-11(18)16-6-5-12-9-14(20-3)15(10-13(12)19-2)21-8-4-7-17/h9-10,17H,4-8H2,1-3H3,(H,16,18) |
| InChIKey |
AEIPOAUPWYXZBN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCCCSC1=C(C=C(CCNC(C)=O)C(=C1)OC)OC |
| 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 |
