| SpectraBase Spectrum ID |
AU7odU738y |
| Name |
Norelgestromin MS2 |
| CAS Registry Number |
53016-31-2 |
| Comments |
F: ITMS + c ESI d w Full ms2 328.34 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H29NO2 |
| InChI |
InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15+ |
| InChIKey |
ISHXLNHNDMZNMC-PXLXIMEGSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
O\N=C/1CCC2C3CCC4(C(CCC4C3CCC2=C1)(O)C#C)CC |
| 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 |
