| SpectraBase Spectrum ID |
4Lmeo3QUNNG |
| Name |
25C-NBOMe-M (O-demethyl-) isomer 3 MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-210.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C10H12ClO2/c1-4-7-5-10(13-3)8(11)6-9(7)12-2/h5-6H,1,4H2,2-3H3/q+1 |
| InChIKey |
VXOVUGNBRNAQGF-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=1(C=C(C(=CC1OC)Cl)OC)C[CH2+] |
| 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 |
