| SpectraBase Spectrum ID |
2lPyxKeceKr |
| Name |
Noxiptyline-M (nor-HO-glucuronide) isomer 2 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H20N2O2 |
| InChI |
InChI=1S/C18H20N2O2/c1-19-10-11-22-20-18-16-5-3-2-4-13(16)6-7-14-12-15(21)8-9-17(14)18/h2-5,8-9,12,19,21H,6-7,10-11H2,1H3/b20-18- |
| InChIKey |
RIAYDKDZMRAKRU-ZZEZOPTASA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC2=C(CCC3=CC=CC=C3\C2=N\OCCNC)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 |
