| SpectraBase Compound ID | JNHeKuIzM6l |
|---|---|
| InChI | InChI=1S/4C21H29NO2.4CH4O/c1-6-7-8-12-22-13-14(17-15(22)10-9-11-16(17)23)18(24)19-20(2,3)21(19,4)5;1-6-7-8-12-22-13-15(14-10-9-11-16(23)17(14)22)18(24)19-20(2,3)21(19,4)5;1-6-7-8-11-22-13-16(15-12-14(23)9-10-17(15)22)18(24)19-20(2,3)21(19,4)5;1-6-7-8-11-22-13-16(15-10-9-14(23)12-17(15)22)18(24)19-20(2,3)21(19,4)5;4*1-2/h2*9-11,13,19,23H,6-8,12H2,1-5H3;2*9-10,12-13,19,23H,6-8,11H2,1-5H3;4*2H,1H3 |
| InChIKey | HRZVSQOSIHWUKF-UHFFFAOYSA-N |
| Mol Weight | 359.51 g/mol |
| Molecular Formula | C22H33NO3 |
| Exact Mass | 359.246044 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | GQ5pPjXqVUo |
|---|---|
| Name | KM-X1 isomer-M (di-HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 344.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C21H29NO3 |
| 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 |