| SpectraBase Compound ID | 9ulEdxjzEDv |
|---|---|
| InChI | InChI=1S/4C20H29N3O3/c1-5-6-7-11-23-12-13(16-14(23)9-8-10-15(16)24)19(26)22-17(18(21)25)20(2,3)4;1-5-6-7-11-23-12-14(13-9-8-10-15(24)16(13)23)19(26)22-17(18(21)25)20(2,3)4;1-5-6-7-10-23-12-15(14-11-13(24)8-9-16(14)23)19(26)22-17(18(21)25)20(2,3)4;1-5-6-7-10-23-12-15(14-9-8-13(24)11-16(14)23)19(26)22-17(18(21)25)20(2,3)4/h2*8-10,12,17,24H,5-7,11H2,1-4H3,(H2,21,25)(H,22,26);2*8-9,11-12,17,24H,5-7,10H2,1-4H3,(H2,21,25)(H,22,26) |
| InChIKey | YAFIVUZWCSPRDE-UHFFFAOYSA-N |
| Mol Weight | 359.47 g/mol |
| Molecular Formula | C20H29N3O3 |
| Exact Mass | 359.220892 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 7CfmgTm2RDa |
|---|---|
| Name | ADBICA-M (HO-) isomer 2 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 360.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C20H29N3O3 |
| 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 |