| SpectraBase Spectrum ID |
7ZZDpoZQJbo |
| Name |
Iso-Paynantheine-M (HO-aryl-glucuronide) isomer 2 MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-250.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C13H18NO3/c1-5-10-7-14-9(2)6-11(10)12(8-16-3)13(15)17-4/h5-6,8,11,14H,2,7H2,1,3-4H3/q+1/b10-5+,12-8+ |
| InChIKey |
KPMGIULFGITJJV-ULERAKTPSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(=CC(\C(C1)=C/C)\C(=C/OC)C(=O)OC)[CH2+] |
| 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 |
