| SpectraBase Spectrum ID |
8U0Zs0mCLw |
| Name |
25I-NBOMe-M (O-demethyl-HO-glucuronide) isomer 1 MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [105.00-445.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H21INO4 |
| InChI |
InChI=1S/C17H20INO4/c1-22-16-8-13(20)4-3-12(16)10-19-6-5-11-7-17(23-2)14(18)9-15(11)21/h3-4,7-9,19-21H,5-6,10H2,1-2H3/p+1 |
| InChIKey |
KSLVGEHQTWRENW-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[OH2+]C1=C(CCNCC2=CC=C(C=C2OC)O)C=C(C(=C1)I)OC |
| 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 |
