Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0020354)
Spectrum Details
| MiMe ID: | MMDBc0020354 |
|---|---|
| Compound Name: | Hexadehydroastechrome |
| Derivative IUPAC Name: | 1-hydroxy-5-methoxy-3-methyl-6-({7-[(1E)-3-methylbuta-1,3-dien-1-yl]-1-(trimethylsilyl)-1H-indol-3-yl}methyl)-1,2-dihydropyrazin-2-one |
| Derivative SMILES: | C=C(C)/C=C/C1=CC=CC2=C1N([Si](C)(C)C)C=C2CC1=C(OC)N=C(C)C(=O)N1O |
| Derivative InChIKey: | InChIKey=UVJOIOSBVROISZ-VAWYXSNFSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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: | C60H63FeN9O9 |
| Molecular Weight (Monoisotopic Mass): | 1109.4098 Da |
| Derivative Type: | TMS_1_1 |
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 | 780 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References