| SpectraBase Spectrum ID |
96jkIjzJtu6 |
| Name |
25E-NBOMe MS2 |
| CAS Registry Number |
1354632-14-6 |
| Comments |
F: ITMS + c ESI d w Full ms2 330.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H27NO3 |
| InChI |
InChI=1S/C20H27NO3/c1-5-15-12-20(24-4)16(13-19(15)23-3)10-11-21-14-17-8-6-7-9-18(17)22-2/h6-9,12-13,21H,5,10-11,14H2,1-4H3 |
| InChIKey |
PXDVGFGXPVCNAB-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CCC1=C(C=C(C(=C1)OC)CC)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 |
