| SpectraBase Compound ID | CtZqpCKyBOZ |
|---|---|
| InChI | InChI=1S/4C19H27N3O2.4CH4O/c1-3-4-5-9-22-14-15(18-16(22)7-6-8-17(18)23)19(24)21-12-10-20(2)11-13-21;1-3-4-5-9-22-14-16(15-7-6-8-17(23)18(15)22)19(24)21-12-10-20(2)11-13-21;1-3-4-5-8-22-14-17(16-13-15(23)6-7-18(16)22)19(24)21-11-9-20(2)10-12-21;1-3-4-5-8-22-14-17(16-7-6-15(23)13-18(16)22)19(24)21-11-9-20(2)10-12-21;4*1-2/h2*6-8,14,23H,3-5,9-13H2,1-2H3;2*6-7,13-14,23H,3-5,8-12H2,1-2H3;4*2H,1H3 |
| InChIKey | KJPQJFAVQVLJDX-UHFFFAOYSA-N |
| Mol Weight | 361.49 g/mol |
| Molecular Formula | C20H31N3O3 |
| Exact Mass | 361.236542 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 2HC6ZxiBQ0y |
|---|---|
| Name | Mepirapim-M (di-HO-) isomer-1 |
| Collision Gas | N2 |
| Comments | FTMS + p ESI d Full ms2 [email protected] [50.00-370.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C19H27N3O3 |
| Inlet Type | UHPLC |
| Instrument Name | Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity | P |
| Ionization Type | HESI |
| Precursor Ion | [M+H]+ |
| Sample Comments | The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge | 1 |
| Source of Spectrum | Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type | ms2 |
| Technique | HCD |