| SpectraBase Spectrum ID |
9ryoCx4FErQ |
| Name |
25I-NBOMe-M (O,O-bis-demethyl-) isomer 3 MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-305.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C9H13INO2 |
| InChI |
InChI=1S/C9H12INO2/c1-13-9-5-7(10)8(12)4-6(9)2-3-11/h4-5,12H,2-3,11H2,1H3/p+1 |
| InChIKey |
SHKQEJYPWHWECY-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]CCC=1C=C(C(=CC1OC)I)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 |
