| SpectraBase Spectrum ID |
KQrT7WwVjpF |
| Name |
Gliquidone-M (dealkyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 446.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H23N3O6S |
| InChI |
InChI=1S/C21H23N3O6S/c1-21(2)17-9-6-14(30-3)12-16(17)18(25)24(19(21)26)11-10-13-4-7-15(8-5-13)31(28,29)23-20(22)27/h4-9,12H,10-11H2,1-3H3,(H3,22,23,27) |
| InChIKey |
FBUHUKJIYLMVMF-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(S(C1=CC=C(CCN2C(C(C=3C(=CC(=CC3)OC)C2=O)(C)C)=O)C=C1)(=O)=O)C(N)=O |
| 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 |
