| SpectraBase Compound ID | BkvpaWxCmVs |
|---|---|
| InChI | InChI=1S/4C21H24N2O2.4CH4O/c1-2-3-7-13-23-15-17(20-18(23)11-8-12-19(20)24)21(25)22-14-16-9-5-4-6-10-16;1-2-3-7-13-23-15-18(17-11-8-12-19(24)20(17)23)21(25)22-14-16-9-5-4-6-10-16;1-2-3-7-12-23-15-19(18-13-17(24)10-11-20(18)23)21(25)22-14-16-8-5-4-6-9-16;1-2-3-7-12-23-15-19(18-11-10-17(24)13-20(18)23)21(25)22-14-16-8-5-4-6-9-16;4*1-2/h2*4-6,8-12,15,24H,2-3,7,13-14H2,1H3,(H,22,25);2*4-6,8-11,13,15,24H,2-3,7,12,14H2,1H3,(H,22,25);4*2H,1H3 |
| InChIKey | YIZCTFCTNFJGJQ-UHFFFAOYSA-N |
| Mol Weight | 368.48 g/mol |
| Molecular Formula | C22H28N2O3 |
| Exact Mass | 368.209993 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 7JzhkSF7L6 |
|---|---|
| Name | SDB-006-M (di-HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 353.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H24N2O3 |
| 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 |