| SpectraBase Spectrum ID |
J3aNKPXGON6 |
| Name |
Oxeladine |
| CAS Registry Number |
468-61-1 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-360.00] |
| 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 |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
C=1C(C(CC)(CC)C(OCCCOCN(CC)CC)=O)=CC=CC1 |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
