| SpectraBase Compound ID | 1nWhBpOKV8a |
|---|---|
| InChI | InChI=1S/4C21H23NO3/c1-3-4-7-13-22-14-17(15-9-5-6-11-18(15)22)20(24)16-10-8-12-19(23)21(16)25-2;1-3-4-7-13-22-14-16(15-9-5-6-10-17(15)22)21(24)20-18(23)11-8-12-19(20)25-2;1-3-4-7-12-22-14-18(16-8-5-6-9-19(16)22)21(24)17-13-15(23)10-11-20(17)25-2;1-3-4-7-12-22-14-18(16-8-5-6-9-19(16)22)21(24)17-11-10-15(23)13-20(17)25-2/h2*5-6,8-12,14,23H,3-4,7,13H2,1-2H3;2*5-6,8-11,13-14,23H,3-4,7,12H2,1-2H3 |
| InChIKey | KXJVNQJRYVGEQP-UHFFFAOYSA-N |
| Mol Weight | 337.42 g/mol |
| Molecular Formula | C21H23NO3 |
| Exact Mass | 337.167794 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 49ZwRzpj9w9 |
|---|---|
| Name | RCS-04-ortho-isomer-M (HO-) isomer 3 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 338.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H23NO3 |
| 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 |