| SpectraBase Spectrum ID |
AvfDBFqP9Of |
| Name |
Noxiptyline-M (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 |
C19H22N2O2 |
| InChI |
InChI=1S/C19H22N2O2/c1-21(2)11-12-23-20-19-17-6-4-3-5-14(17)7-8-15-13-16(22)9-10-18(15)19/h3-6,9-10,13,22H,7-8,11-12H2,1-2H3/b20-19- |
| InChIKey |
LKLLJTVBDSRMKC-VXPUYCOJSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC=2CCC3=CC=CC=C3\C(C2C=C1)=N\OCCN(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 |
