| SpectraBase Spectrum ID |
FwqkQjuF4Kj |
| Name |
Narceine-M (O-demethyl-glucuronide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H25NO8 |
| InChI |
InChI=1S/C22H25NO8/c1-23(2)8-7-12-9-17-21(31-11-30-17)19(28-3)14(12)10-16(25)13-5-6-15(24)20(29-4)18(13)22(26)27/h5-6,9,24H,7-8,10-11H2,1-4H3,(H,26,27) |
| InChIKey |
RUXPDYPPGMRWND-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C=1C(=C(C=CC1C(CC=1C(=C2OCOC2=CC1CCN(C)C)OC)=O)O)OC)=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
