| SpectraBase Spectrum ID |
K89E5JhLF35 |
| Name |
Cotinine-D3 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 180.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C10H9D3N2O |
| InChI |
InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/i1D3 |
| InChIKey |
UIKROCXWUNQSPJ-FIBGUPNXSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=C(C=NC=C1)C1CCC(N1C([2H])([2H])[2H])=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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
