| SpectraBase Spectrum ID |
2b3DnSyY8Fr |
| Name |
Norgestrel MS2 |
| CAS Registry Number |
6533-00-2 |
| Comments |
F: ITMS + c ESI d w Full ms2 313.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3 |
| InChIKey |
CHNXZKVNWQUJIB-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1(C#C)C2(C(CC1)C1C(CC2)C2(C(CC1)=CC(=O)CC2)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 |
ms2 |
| Technique |
ITMS |
