| SpectraBase Spectrum ID |
KWgJbsk0wQ |
| Name |
2C-T-2-M (HO-acetyl) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H19NO3S |
| InChI |
InChI=1S/C12H19NO3S/c1-4-17-12-10(14)9(15-2)7-8(5-6-13)11(12)16-3/h7,14H,4-6,13H2,1-3H3 |
| InChIKey |
ZQBFHLXLCZUDOZ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NCCC=1C(=C(C(=C(C1)OC)O)SCC)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 |
ms3 |
| Technique |
ITMS |
