| SpectraBase Spectrum ID |
3m6u6RxcUlB |
| Name |
Astemizole MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-230.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C14H20NO/c1-16-14-7-5-13(6-8-14)9-12-15-10-3-2-4-11-15/h2,5-8H,3-4,9-12H2,1H3/q+1 |
| InChIKey |
WIXSXWFBFCHKGJ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[CH+]1CCN(CC1)CCC=1C=CC(=CC1)OC |
| 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 |
