| SpectraBase Spectrum ID |
37zC8aEVILt |
| Name |
Cafedrine-M (HO-ring) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C9H11N4O2/c1-4-13-5-10-7-6(13)8(14)12(3)9(15)11(7)2/h5H,1,4H2,2-3H3/q+1 |
| InChIKey |
XUVCCSPIMLIDQD-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[CH2+]CN1C2=C(N(C(N(C2=O)C)=O)C)N=C1 |
| 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 |
