| SpectraBase Spectrum ID |
DgvJC3tN2B5 |
| Name |
Noxiptyline-M (di-HO-glucuronide) isomer 2 MS3_2 |
| Comments |
F: 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/C15H9NO/c16-15-13-4-2-1-3-10(13)5-6-11-9-12(17)7-8-14(11)15/h1-5,7-9H,(H-,16,17)/p+1 |
| InChIKey |
HAWGRMXOHMDTRQ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N=C1C2=C(C=C(C=C2)O)[C+]=CC2=CC=CC=C12 |
| 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 |
