Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0007398)
Spectrum Details
| MiMe ID: | MMDBc0007398 |
|---|---|
| Compound Name: | Miyakamide B1 |
| Derivative IUPAC Name: | (2S)-2-[(2S)-3-(4-hydroxyphenyl)-N-methyl-2-({1-[(trimethylsilyl)oxy]ethylidene}amino)propanamido]-N-[(1Z)-2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidic acid |
| Derivative SMILES: | CC(=N[C@@H](CC1=CC=C(O)C=C1)C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(O)=N/C=C\C1=CNC2=CC=CC=C12)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=HYQKEIKBEOIHPH-ZVWGNHMGSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C31H32N4O4 |
| Molecular Weight (Monoisotopic Mass): | 524.2424 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References