| SpectraBase Spectrum ID |
1mWgGBeLcDJ |
| Name |
Tiotixene MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-350.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C21H23N2S/c1-22-13-15-23(16-14-22)12-6-9-17-18-7-2-4-10-20(18)24-21-11-5-3-8-19(17)21/h2,4-5,7-11H,6,12-16H2,1H3/q+1/b17-9+ |
| InChIKey |
HBYZHDZSUSPKAC-RQZCQDPDSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C+]1=CC=C2C(=C1)\C(=C\CCN1CCN(CC1)C)C=1C=CC=CC1S2 |
| 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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
