| SpectraBase Compound ID | 1TW5NGTXhrc |
|---|---|
| InChI | InChI=1S/C18H23NO4/c20-13-7-2-1-6-10-15(19-12-11-16(21)18(19)23)17(22)14-8-4-3-5-9-14/h3-5,8-9,13,15-16,21H,1-2,6-7,10-12H2 |
| InChIKey | GNMUBUVKLMNMDK-UHFFFAOYSA-N |
| Mol Weight | 317.39 g/mol |
| Molecular Formula | C18H23NO4 |
| Exact Mass | 317.162708 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 99Viw9MU1g |
|---|---|
| Name | alpha-POP-M (oxo-HO-aldehyde-) MS2 |
| Comments | T: ITMS + c ESI d w Full ms2 [email protected] [75.00-330.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C18H23NO4 |
| 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 |