| SpectraBase Spectrum ID |
6URWpQCVTU |
| Name |
Cafedrine-M (HO-ring-glucuronide) MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-370.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C18H21N5O3/c1-12(10-13-6-4-5-7-14(13)24)19-8-9-23-11-20-16-15(23)17(25)22(3)18(26)21(16)2/h4-7,10-12,19H,8-9H2,1-3H3/p+1 |
| InChIKey |
TUEPDWQHWSIQIX-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C([CH+]C(C)NCCN2C=3C(=O)N(C(N(C3N=C2)C)=O)C)=CC=CC1 |
| 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 |
