| SpectraBase Spectrum ID |
98N17nW0ATR |
| Name |
Paynantheine-M (16-HOOC-glucuronide) MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-235.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C12H15NO3/c1-4-9-6-13-8(2)5-10(9)11(7-16-3)12(14)15/h4-5,7,13H,2,6H2,1,3H3,(H,14,15)/p+1/b9-4+,11-7+ |
| InChIKey |
NKRAOFAQXPATCN-BFFNUNQPSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH2+]1C(C=C(\C(C(=O)O)=C\OC)\C(C1)=C\C)=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 |
