| SpectraBase Spectrum ID |
Ap7TQ0NhoLI |
| Name |
Gestonorone caproate MS2 |
| CAS Registry Number |
1253-28-7 |
| Comments |
F: ITMS + c ESI d w Full ms2 415.29 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C26H38O4 |
| InChI |
InChI=1S/C26H38O4/c1-4-5-6-7-24(29)30-26(17(2)27)15-13-23-22-10-8-18-16-19(28)9-11-20(18)21(22)12-14-25(23,26)3/h16,20-23H,4-15H2,1-3H3 |
| InChIKey |
XURCMZMFZXXQDJ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
CC12C(CCC2C2C(CC1)C1CCC(=O)C=C1CC2)(OC(=O)CCCCC)C(C)=O |
| 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 |
ms2 |
| Technique |
ITMS |
