| SpectraBase Spectrum ID |
DWTZqIAI2qK |
| Name |
Citalopram-M (N-oxide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-290.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C18H15FNO/c1-2-9-18(15-4-6-16(19)7-5-15)17-8-3-13(11-20)10-14(17)12-21-18/h2-8,10,14H,1,9,12H2/q+1 |
| InChIKey |
YDZHWKZIRFTQCN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=CCC1([C+]2C(C=C(C=C2)C#N)CO1)C1=CC=C(C=C1)F |
| 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 |
