| SpectraBase Spectrum ID |
CI9ILeXUb1d |
| Name |
25B-NBOMe (Peak 1) MS2 |
| CAS Registry Number |
1026511-90-9 |
| Comments |
F: ITMS + c ESI d w Full ms2 380.10 |
| 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 |
| InChIKey |
SUXGNJVVBGJEFB-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CCC1=C(C=C(C(=C1)OC)Br)OC)CC1=CC=CC=C1OC |
| 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 |
