| SpectraBase Spectrum ID |
6zREMAUjQG |
| Name |
Oxypertine-M (O-demethyl-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H27N3O2 |
| InChI |
InChI=1S/C22H27N3O2/c1-16-18(19-14-22(27-2)21(26)15-20(19)23-16)8-9-24-10-12-25(13-11-24)17-6-4-3-5-7-17/h3-7,14-15,23,26H,8-13H2,1-2H3 |
| InChIKey |
FSYGEXWZKUYXCZ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C=C2C(=C1)NC(=C2CCN1CCN(C2=CC=CC=C2)CC1)C)OC |
| 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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
