| SpectraBase Compound ID | 6uQGXTeMYOo |
|---|---|
| InChI | InChI=1S/C21H23NO2.CH4O2/c1-3-4-9-14-22-15-18(16-10-5-7-12-19(16)22)21(23)17-11-6-8-13-20(17)24-2;2-1-3/h5-8,10-13,15H,3-4,9,14H2,1-2H3;2-3H,1H2 |
| InChIKey | YGPDMKYOJMLQPW-UHFFFAOYSA-N |
| Mol Weight | 369.46 g/mol |
| Molecular Formula | C22H27NO4 |
| Exact Mass | 369.194008 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | Gspjt5OgpYP |
|---|---|
| Name | RCS-04-ortho-isomer-M (di-HO-) isomer 4 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 354.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H23NO4 |
| 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 |