| SpectraBase Spectrum ID |
K385kZECc6A |
| Name |
2C-T-7-M (HO-acetyl-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-285.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C13H21NO3S/c1-16-11-9-13(18-7-3-6-15)12(17-2)8-10(11)4-5-14/h8-9,15H,3-7,14H2,1-2H3/p+1 |
| InChIKey |
UNLNBIUKEDZVQV-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]CCC=1C(=CC(SCCCO)=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 |
ms3 |
| Technique |
ITMS |
