| SpectraBase Spectrum ID |
1foVIWT1QZ6 |
| Name |
RCS-08-M (O-demethyl-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-240.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H22N |
| InChI |
InChI=1S/C16H21N/c1-2-6-14(7-3-1)10-12-17-13-11-15-8-4-5-9-16(15)17/h4-5,8-9,11,13-14H,1-3,6-7,10,12H2/p+1 |
| InChIKey |
BZHWNRYREHOBKM-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+]1(C=CC=2C1=CC=CC2)CCC1CCCCC1 |
| 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 |
