Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive (MMDBc0016028)
Spectrum Details
| MiMe ID: | MMDBc0016028 |
|---|---|
| Compound Name: | Asperiamide B |
| Derivative IUPAC Name: | (2R,3E,5E,7E,9E)-N-[(2S,3R)-1-{[(3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(trimethylsilyl)oxy]oxan-2-yl]oxy}-3-hydroxytricosan-2-yl]-2-hydroxytrideca-3,5,7,9-tetraenimidic acid |
| Derivative SMILES: | CCC/C=C/C=C/C=C/C=C/[C@@H](O)C(O)=N[C@@H](COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCCCCC |
| Derivative InChIKey: | InChIKey=BNPCYIFNNOCAOK-MGZBUVLGSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 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: | C42H75NO9 |
| Molecular Weight (Monoisotopic Mass): | 737.5442 Da |
| Derivative Type: | TMS_1_5 |
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 | 784 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References