| SpectraBase Compound ID | D8PtNktVLYf |
|---|---|
| InChI | InChI=1S/4C22H29NO3/c1-21(2)20(22(21,3)4)19(25)17-13-23(12-14-7-9-26-10-8-14)18-6-5-15(24)11-16(17)18;1-21(2)20(22(21,3)4)19(25)17-13-23(12-14-7-9-26-10-8-14)18-11-15(24)5-6-16(17)18;1-21(2)20(22(21,3)4)19(25)15-13-23(12-14-8-10-26-11-9-14)16-6-5-7-17(24)18(15)16;1-21(2)20(22(21,3)4)19(25)16-13-23(12-14-8-10-26-11-9-14)18-15(16)6-5-7-17(18)24/h2*5-6,11,13-14,20,24H,7-10,12H2,1-4H3;2*5-7,13-14,20,24H,8-12H2,1-4H3 |
| InChIKey | SALDBHCFJCCWEZ-UHFFFAOYSA-N |
| Mol Weight | 355.48 g/mol |
| Molecular Formula | C22H29NO3 |
| Exact Mass | 355.214744 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 86qaFz2fQqj |
|---|---|
| Name | A-834.735-M (HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 356.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C22H29NO3 |
| 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 |