| SpectraBase Compound ID | ITgaw2dIK8U |
|---|---|
| InChI | InChI=1S/4C23H32N2O4/c1-23(2,3)20(22(28)29-4)24-21(27)16-14-25(13-15-9-6-5-7-10-15)17-11-8-12-18(26)19(16)17;1-23(2,3)20(22(28)29-4)24-21(27)17-14-25(13-15-9-6-5-7-10-15)19-16(17)11-8-12-18(19)26;1-23(2,3)20(22(28)29-4)24-21(27)18-14-25(13-15-8-6-5-7-9-15)19-11-10-16(26)12-17(18)19;1-23(2,3)20(22(28)29-4)24-21(27)18-14-25(13-15-8-6-5-7-9-15)19-12-16(26)10-11-17(18)19/h2*8,11-12,14-15,20,26H,5-7,9-10,13H2,1-4H3,(H,24,27);2*10-12,14-15,20,26H,5-9,13H2,1-4H3,(H,24,27) |
| InChIKey | YJCRZRCMQXVARG-UHFFFAOYSA-N |
| Mol Weight | 400.5 g/mol |
| Molecular Formula | C23H32N2O4 |
| Exact Mass | 400.236208 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | G1JBSPpRMKw |
|---|---|
| Name | MDMB-CHMICA-M (HO-) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 401.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C23H32N2O4 |
| 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 |