Predicted GC-MS Spectrum - GC-MS (TMS_2_27) - 70eV, Positive (MMDBc0002335)
Spectrum Details
| MiMe ID: | MMDBc0002335 |
|---|---|
| Compound Name: | YM-170320 |
| Derivative IUPAC Name: | (8E,10E)-3-hydroxy-N-(1-{[2-({4-hydroxy-1-methoxy-1-oxo-5-[(trimethylsilyl)imino]-5-[(trimethylsilyl)oxy]pentan-2-yl}-C-hydroxycarbonimidoyl)-2-methylethyl]-C-hydroxycarbonimidoyl}eth-1-en-1-yl)-2,6,10,14-tetramethyl-7-oxoicosa-8,10-dienimidic acid |
| Derivative SMILES: | C=C(N=C(O)C(C)C(O)CCC(C)C(=O)/C=C/C(C)=C/CCC(C)CCCCCC)C(O)=NCC(C)C(O)=NC(CC(O)C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)OC |
| Derivative InChIKey: | InChIKey=UQVOXPNIIUCAEH-FECOTVALNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C37H62N4O9 |
| Molecular Weight (Monoisotopic Mass): | 706.4517 Da |
| Derivative Type: | TMS_2_27 |
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 | 786 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References