| SpectraBase Spectrum ID |
9U2AQfTox6 |
| Name |
Citalopram-D6 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 331.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H15D6FN2O |
| InChI |
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/i1D3,2D3 |
| InChIKey |
WSEQXVZVJXJVFP-WFGJKAKNSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=C(C=CC(=C1)F)C1(C2=C(CO1)C=C(C=C2)C#N)CCCN(C([2H])([2H])[2H])C([2H])([2H])[2H] |
| 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 |
