| SpectraBase Spectrum ID |
5s9NpKeBbE9 |
| Name |
Astemizole MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-320.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H19FN3/c1-3-16(4-2)21-19-22-17-7-5-6-8-18(17)23(19)13-14-9-11-15(20)12-10-14/h3,5-12,16H,1-2,4,13H2,(H,21,22)/q+1 |
| InChIKey |
JZGCTSKZTJYHOD-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C=C)C[CH2+])C1=NC2=C(N1CC1=CC=C(C=C1)F)C=CC=C2 |
| 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 |
