| SpectraBase Compound ID | 2s1IYBpPIpd |
|---|---|
| InChI | InChI=1S/C21H29NO.CH4O2/c1-6-7-10-13-22-14-16(15-11-8-9-12-17(15)22)18(23)19-20(2,3)21(19,4)5;2-1-3/h8-9,11-12,14,19H,6-7,10,13H2,1-5H3;2-3H,1H2 |
| InChIKey | JWSVQBMQIXGIIG-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 | HAhNL7eE8jg |
|---|---|
| Name | UR-144 isomer-M (di-HO-) isomer 3 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 |