| SpectraBase Spectrum ID |
3lErMyGgRV4 |
| Name |
Dimetotiazine-M (HO-ring) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-375.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C17H18N2O3S2/c1-4-9-19-14-7-5-12(20)10-17(14)23-16-8-6-13(11-15(16)19)24(21,22)18(2)3/h4-8,10-11H,9H2,1-3H3/p+1 |
| InChIKey |
KEQVJKYAQBNXIQ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC2=C(N(C[CH+]C)C=3C(S2)=CC=C(C3)S(N(C)C)(=O)=O)C=C1 |
| 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 |
