Predicted GC-MS Spectrum - GC-MS (TBDMS_3_27) - 70eV, Positive (MMDBc0009713)
Spectrum Details
| MiMe ID: | MMDBc0009713 |
|---|---|
| Compound Name: | Aspergillomarasmine A |
| Derivative IUPAC Name: | 3-[7-(2-amino-2-carboxyethyl)-6-carboxy-2,2,3,3,8,8,9,9-octamethyl-4,7-diaza-3,8-disiladecan-4-yl]-4-[(tert-butyldimethylsilyl)oxy]-4-oxobutanoic acid |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C |
| Derivative InChIKey: | InChIKey=NICMXZWFUYWQSI-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_3_27) - 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: | C10H17N3O8 |
| Molecular Weight (Monoisotopic Mass): | 307.1016 Da |
| Derivative Type: | TBDMS_3_27 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(CC(C(=O)O)N(CC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 742 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available