| SpectraBase Spectrum ID |
GnERODRvKgZ |
| Name |
Protriptyline-M (di-HO-methoxy-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H23NO2 |
| InChI |
InChI=1S/C20H23NO2/c1-21-13-5-8-16-15-7-4-3-6-14(15)9-10-18-17(16)11-12-19(23-2)20(18)22/h3-4,6-7,9-12,16,21-22H,5,8,13H2,1-2H3 |
| InChIKey |
HYSTTYBSEDUPMV-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C2=C(C(CCCNC)C=3C(C=C2)=CC=CC3)C=CC1OC |
| 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 |
