| SpectraBase Compound ID | Fr2TLzlSo7m |
|---|---|
| InChI | InChI=1S/4C22H31N3O3/c1-22(2,3)19(20(23)27)24-21(28)15-13-25(12-14-8-5-4-6-9-14)16-10-7-11-17(26)18(15)16;1-22(2,3)19(20(23)27)24-21(28)16-13-25(12-14-8-5-4-6-9-14)18-15(16)10-7-11-17(18)26;1-22(2,3)19(20(23)27)24-21(28)17-13-25(12-14-7-5-4-6-8-14)18-10-9-15(26)11-16(17)18;1-22(2,3)19(20(23)27)24-21(28)17-13-25(12-14-7-5-4-6-8-14)18-11-15(26)9-10-16(17)18/h2*7,10-11,13-14,19,26H,4-6,8-9,12H2,1-3H3,(H2,23,27)(H,24,28);2*9-11,13-14,19,26H,4-8,12H2,1-3H3,(H2,23,27)(H,24,28) |
| InChIKey | QEAQVGVCMLNIOP-UHFFFAOYSA-N |
| Mol Weight | 385.51 g/mol |
| Molecular Formula | C22H31N3O3 |
| Exact Mass | 385.236542 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | Fvkj7tVGPPX |
|---|---|
| Name | ADB-CHMICA-M (HO-) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 386.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C22H31N3O3 |
| 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 |