| SpectraBase Spectrum ID |
GK3ASqfnMIS |
| Name |
RCS-04-ortho-isomer-M (O-demethyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 308.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H21NO2 |
| InChI |
InChI=1S/C20H21NO2/c1-2-3-8-13-21-14-17(15-9-4-6-11-18(15)21)20(23)16-10-5-7-12-19(16)22/h4-7,9-12,14,22H,2-3,8,13H2,1H3 |
| InChIKey |
QBKLSWCZLWIFAE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C(C(C=2C3=C(C=CC=C3)N(C2)CCCCC)=O)=CC=CC1 |
| 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 |
