| SpectraBase Compound ID | Kkf9Unw69JY |
|---|---|
| InChI | InChI=1S/3C15H23NO2/c1-18-12-11-16-15(10-6-5-9-14(15)17)13-7-3-2-4-8-13;1-18-11-10-16-15(9-5-8-14(17)12-15)13-6-3-2-4-7-13;1-18-12-11-16-15(9-7-14(17)8-10-15)13-5-3-2-4-6-13/h2-4,7-8,14,16-17H,5-6,9-12H2,1H3;2-4,6-7,14,16-17H,5,8-12H2,1H3;2-6,14,16-17H,7-12H2,1H3 |
| InChIKey | GWTRAXYCZYGKBD-UHFFFAOYSA-N |
| Mol Weight | 249.35 g/mol |
| Molecular Formula | C15H23NO2 |
| Exact Mass | 249.172879 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 89iEmHbK6mZ |
|---|---|
| Name | PCMEA-M (HO-ring) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 250.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C15H23NO2 |
| 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 |