| SpectraBase Compound ID | BABrx6TQDpC |
|---|---|
| InChI | InChI=1S/C22H22N4O.CH4O/c1-2-3-6-15-26-19-13-5-4-11-17(19)21(25-26)22(27)24-18-12-7-9-16-10-8-14-23-20(16)18;1-2/h4-5,7-14H,2-3,6,15H2,1H3,(H,24,27);2H,1H3 |
| InChIKey | CUWKINAGMJNIIO-UHFFFAOYSA-N |
| Mol Weight | 390.49 g/mol |
| Molecular Formula | C23H26N4O2 |
| Exact Mass | 390.205576 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | ATxpCARP4S |
|---|---|
| Name | THJ-M (HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 375.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C22H22N4O2 |
| Ion Polarity | P |
| Ionization Type | ESI |
| 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 |