| SpectraBase Spectrum ID |
AKVn8H8Ojg |
| Name |
4-EA-NBOMe-M (O-demethyl-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-285.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H24NO |
| InChI |
InChI=1S/C18H23NO/c1-3-15-8-10-16(11-9-15)12-14(2)19-13-17-6-4-5-7-18(17)20/h4-11,14,19-20H,3,12-13H2,1-2H3/p+1 |
| InChIKey |
BADXBPXSOIQQDP-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH2+](C(CC=1C=CC(=CC1)CC)C)CC1=CC=CC=C1O |
| 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 |
