Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB005051)
Spectrum Details
| CDB ID: | CDB005051 |
|---|---|
| Compound Name: | Gibberellin A44 |
| Derivative IUPAC Name: | (1R,2R,5S,8S,9S,10S,11S)-11-methyl-6-methylidene-12-oxo-5-[(trimethylsilyl)oxy]-13-oxapentacyclo[9.3.3.1⁵,⁸.0¹,¹⁰.0²,⁸]octadecane-9-carboxylic acid |
| Derivative SMILES: | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O |
| Derivative InChIKey: | InChIKey=MMXQQARCCHAHMB-RQPXCUQGSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C23H34O5Si |
| Molecular Weight (Monoisotopic Mass): | 418.218 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available