| SpectraBase Spectrum ID |
7AKFJPwKy8 |
| Name |
Cetirizine-M (HO-piperazine) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 405.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H25ClN2O4 |
| InChI |
InChI=1S/C21H25ClN2O4/c22-18-8-6-17(7-9-18)21(16-4-2-1-3-5-16)24-11-10-23(19(25)14-24)12-13-28-15-20(26)27/h1-9,19,21,25H,10-15H2,(H,26,27) |
| InChIKey |
VXKKBBRNCPMYCU-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1CN(CCN1CCOCC(O)=O)C(C1=CC=C(C=C1)Cl)C1=CC=CC=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 |
ms2 |
| Technique |
ITMS |
