| SpectraBase Compound ID | 539jqUGTvYc |
|---|---|
| InChI | InChI=1S/5C27H32N4O2/c2*28-21-26(22-9-3-1-4-10-22,23-11-5-6-12-24(23)32)13-18-30-19-14-27(15-20-30,25(29)33)31-16-7-2-8-17-31;2*28-21-26(22-8-3-1-4-9-22,23-10-7-11-24(32)20-23)12-17-30-18-13-27(14-19-30,25(29)33)31-15-5-2-6-16-31;28-21-26(22-7-3-1-4-8-22,23-9-11-24(32)12-10-23)13-18-30-19-14-27(15-20-30,25(29)33)31-16-5-2-6-17-31/h2*1,3-6,9-12,14,19,32H,2,7-8,13,15-18,20H2,(H2,29,33);2*1,3-4,7-11,13,18,20,32H,2,5-6,12,14-17,19H2,(H2,29,33);1,3-4,7-12,14,19,32H,2,5-6,13,15-18,20H2,(H2,29,33) |
| InChIKey | YINGXLPQKIKKTQ-UHFFFAOYSA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C27H32N4O2 |
| Exact Mass | 444.252526 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 64DCOXywlRu |
|---|---|
| Name | Piritramide-M (HO-dehydro-glucuronide) MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [110.00-460.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C27H32N4O2 |
| 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 | ms3 |
| Technique | ITMS |