| SpectraBase Spectrum ID |
6QrMYvIc9hQ |
| Name |
Melitracene-M/artifact (N-oxide dimer) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-260.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H26NO |
| InChI |
InChI=1S/C21H26NO/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3,4)23)18-11-6-8-14-20(18)21/h5-8,10-14,23H,9,15H2,1-4H3/q+1 |
| InChIKey |
WZWQPSWKJLTHJG-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
O[N+](CCC=C1C2=C(C=CC=C2)C(C=2C1=CC=CC2)(C)C)(C)C |
| 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 |
