| SpectraBase Spectrum ID |
6m5y731uYwz |
| Name |
4-EA-NBOMe-M (benzoic acid-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-320.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H22NO3 |
| InChI |
InChI=1S/C18H21NO3/c1-13(11-14-7-9-15(10-8-14)18(20)21)19-12-16-5-3-4-6-17(16)22-2/h3-10,13,19H,11-12H2,1-2H3,(H,20,21) |
| InChIKey |
GGXOADHAGKMSTK-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C=1C=CC(CC(NCC=2C(=CC=CC2)OC)C)=CC1)=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 |
