| SpectraBase Spectrum ID |
6PSyBVBQIEG |
| Name |
25C-NBOMe-M (O,O-bis-demethyl-) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 308.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H18ClNO3 |
| InChI |
InChI=1S/C16H18ClNO3/c1-21-16-5-3-2-4-12(16)10-18-7-6-11-8-15(20)13(17)9-14(11)19/h2-5,8-9,18-20H,6-7,10H2,1H3 |
| InChIKey |
FIJIDLTUTBNYNZ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(C(=CC1CCNCC=1C(=CC=CC1)OC)O)Cl |
| 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 |
ms2 |
| Technique |
ITMS |
