| SpectraBase Spectrum ID |
8k3gLyCCPUC |
| Name |
MDPPP-M (dihydro-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 |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-10(15-7-2-3-8-15)13(16)11-5-4-6-12-14(11)18-9-17-12/h4-6,10,13,16H,2-3,7-9H2,1H3 |
| InChIKey |
FHJLOXAYGWALII-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1=C2OCOC2=CC=C1)C(N1CCCC1)C |
| 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 |
