| SpectraBase Spectrum ID |
21W86YuLwy6 |
| Name |
25B-NBOMe (Peak 2) isotope MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 382.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H22BrNO3 |
| InChI |
InChI=1S/C18H22BrNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3/i19+1 |
| InChIKey |
SUXGNJVVBGJEFB-QHPTYGIKSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CC=1C(OC)=CC=CC1)CCC1=C(C=C(C(=C1)OC)[81Br])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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
