| SpectraBase Spectrum ID |
8U3EU70iyO |
| Name |
25C-NBOMe-M (dehydro-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-225.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C10H11ClNO2 |
| InChI |
InChI=1S/C10H10ClNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3H2,1-2H3/p+1 |
| InChIKey |
DOZOBKNXBUWZSJ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+]#CCC=1C=C(C(=CC1OC)Cl)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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
