| SpectraBase Compound ID | 6fUjHFWS43t |
|---|---|
| InChI | InChI=1S/4C25H24N2O3/c28-21-12-5-11-20-23(21)19(16-27(20)15-17-7-2-1-3-8-17)25(29)30-22-13-4-9-18-10-6-14-26-24(18)22;28-21-12-5-11-19-20(16-27(24(19)21)15-17-7-2-1-3-8-17)25(29)30-22-13-4-9-18-10-6-14-26-23(18)22;28-19-11-12-22-20(14-19)21(16-27(22)15-17-6-2-1-3-7-17)25(29)30-23-10-4-8-18-9-5-13-26-24(18)23;28-19-11-12-20-21(16-27(22(20)14-19)15-17-6-2-1-3-7-17)25(29)30-23-10-4-8-18-9-5-13-26-24(18)23/h2*4-6,9-14,16-17,28H,1-3,7-8,15H2;2*4-5,8-14,16-17,28H,1-3,6-7,15H2 |
| InChIKey | TXKFJRHDQHKMAP-UHFFFAOYSA-N |
| Mol Weight | 400.48 g/mol |
| Molecular Formula | C25H24N2O3 |
| Exact Mass | 400.178693 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | Ln2pq9nh3K6 |
|---|---|
| Name | BB-22-M (HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 401.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C25H24N2O3 |
| 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 |