| SpectraBase Spectrum ID |
5pTwlplu5I |
| Name |
Danazole MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-325.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C20H24NO2/c1-4-20(22)10-6-16-11-15(5-9-19(16,20)3)18(2)8-7-17-14(12-18)13-21-23-17/h1,7-8,11,13,15-16,22H,5-6,9-10,12H2,2-3H3/q+1 |
| InChIKey |
SXHINCHLWMDRJS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1(C2(C([CH+]C(C3(CC4=C(C=C3)ON=C4)C)CC2)CC1)C)C#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 |
