| SpectraBase Compound ID | 6fUjHFWS43t |
|---|---|
| InChI | InChI=1S/4C25H24N2O3/c28-21-12-5-11-20-23(21)19(16-27(20)15-17-7-2-1-3-8-17)25(29)30-22-13-4-9-18-10-6-14-26-24(18)22;28-21-12-5-11-19-20(16-27(24(19)21)15-17-7-2-1-3-8-17)25(29)30-22-13-4-9-18-10-6-14-26-23(18)22;28-19-11-12-22-20(14-19)21(16-27(22)15-17-6-2-1-3-7-17)25(29)30-23-10-4-8-18-9-5-13-26-24(18)23;28-19-11-12-20-21(16-27(22(20)14-19)15-17-6-2-1-3-7-17)25(29)30-23-10-4-8-18-9-5-13-26-24(18)23/h2*4-6,9-14,16-17,28H,1-3,7-8,15H2;2*4-5,8-14,16-17,28H,1-3,6-7,15H2 |
| InChIKey | TXKFJRHDQHKMAP-UHFFFAOYSA-N |
| Mol Weight | 400.48 g/mol |
| Molecular Formula | C25H24N2O3 |
| Exact Mass | 400.178693 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | IscRKrkQz4H |
|---|---|
| Name | BB-22-M (HO-) isomer-2 |
| Collision Gas | N2 |
| Comments | FTMS + p ESI d Full ms2 [email protected] [50.00-425.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C25H24N2O3 |
| 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 |