| SpectraBase Spectrum ID |
5pcDfY7Eyu |
| Name |
25I-NBOMe-M (O-demethyl-HO-) isomer 2 MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [105.00-445.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H20INO4 |
| InChI |
InChI=1S/C17H20INO4/c1-22-16-9-14(18)17(23-2)7-11(16)5-6-19-10-12-3-4-13(20)8-15(12)21/h3-4,7-9,19-21H,5-6,10H2,1-2H3 |
| InChIKey |
WGSHHKQWUYBLAY-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CCC1=C(OC)C=C(C(=C1)OC)I)CC1=CC=C(C=C1O)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 |
ms2 |
| Technique |
ITMS |
