| SpectraBase Compound ID | 1kWPR45RUdV |
|---|---|
| InChI | InChI=1S/3C21H31N5O4/c2*27-16-5-8-22-20(23-16)25-13-11-24(12-14-25)9-3-4-10-26-17(28)15-21(6-1-2-7-21)18(29)19(26)30;27-16-14-22-20(23-15-16)25-11-9-24(10-12-25)7-3-4-8-26-17(28)13-21(5-1-2-6-21)18(29)19(26)30/h2*5,8,18,29H,1-4,6-7,9-15H2,(H,22,23,27);14-15,18,27,29H,1-13H2 |
| InChIKey | XFEBXPDRTCDMKG-UHFFFAOYSA-N |
| Mol Weight | 417.51 g/mol |
| Molecular Formula | C21H31N5O4 |
| Exact Mass | 417.237604 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | CC6xB75I2zx |
|---|---|
| Name | Buspirone-M (di-HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 418.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H31N5O4 |
| 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 |