| SpectraBase Spectrum ID |
5eyyLNbCHA |
| Name |
Ketoconazol MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [120.00-500.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C24H27Cl2N4O3 |
| InChI |
InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2/p+1 |
| InChIKey |
LOUXSEJZCPKWAX-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH2+]1CCN(CC1)C1=CC=C(C=C1)OCC1COC(O1)(C1=CC=C(C=C1Cl)Cl)CN1C=CN=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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
