| SpectraBase Spectrum ID |
9QNNv2NqMbq |
| Name |
Cafedrine-M (demethyl-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-205.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C8H8N4O2/c1-3-12-4-9-6-5(12)7(13)11(2)8(14)10-6/h4H,1,3H2,2H3/p+1 |
| InChIKey |
XGEJEVIVIWLTGP-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(N(C(C2=C1N=CN2C[CH2+])=O)C)=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 |
