| SpectraBase Spectrum ID |
IogqjRzlLU |
| Name |
Iso-Paynantheine-M (HO-aryl-glucuronide) isomer 1 MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-395.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C22H24N2O4/c1-5-13-11-24-7-6-15-20-17(8-14(25)9-19(20)27-3)23-21(15)18(24)10-16(13)12(2)22(26)28-4/h2,5,8-9,16,18,23H,6-7,10-11H2,1,3-4H3/p+1/b13-5+ |
| InChIKey |
IEJXTVJOULJWGE-WLRTZDKTSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C2=CC(=CC(=C2C2=C1C1CC(C(=[CH+])C(=O)OC)\C(=C\C)CN1CC2)OC)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 |
