| SpectraBase Spectrum ID |
60r12oudm3g |
| Name |
Oxeladin MS2 |
| CAS Registry Number |
468-61-1 |
| Comments |
F: ITMS + c ESI d w Full ms2 [email protected] [75.00-350.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H33NO3 |
| InChI |
InChI=1S/C20H33NO3/c1-5-20(6-2,18-13-10-9-11-14-18)19(22)24-16-12-15-23-17-21(7-3)8-4/h9-11,13-14H,5-8,12,15-17H2,1-4H3 |
| InChIKey |
LEYHAPSAFLWTSR-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=1C(=CC=CC1)C(CC)(CC)C(OCCCOCN(CC)CC)=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 |
