| SpectraBase Spectrum ID |
Bdh0Q67enDK |
| Name |
Itraconazole MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [105.00-445.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C25H30N5O2/c1-4-18-32-24-12-10-22(11-13-24)28-16-14-27(15-17-28)21-6-8-23(9-7-21)29-19-26-30(25(29)31)20(3)5-2/h4,6-13,18-20H,1,5,14-17H2,2-3H3/q+1/b18-4- |
| InChIKey |
ZNMGPWKUILIGGY-LMXLVEHLSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[CH2+]\C=C/OC1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(C=C1)N1C(=O)N(N=C1)C(CC)C |
| 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 |
