Predicted GC-MS Spectrum - GC-MS (TMS_4_16) - 70eV, Positive (MMDBc0022274)
Spectrum Details
| MiMe ID: | MMDBc0022274 |
|---|---|
| Compound Name: | Cryptomaldamide |
| Derivative IUPAC Name: | (2E,4S)-4-[(2S)-2-{[(5S)-5-[N',N''-bis(trimethylsilyl)carbamimidamido]-2,2,8,8-tetramethyl-3,7-dioxa-2,8-disilanonan-4-ylidene]amino}-N,3-dimethylbutanamido]-2,5-dimethylhex-2-enoic acid |
| Derivative SMILES: | C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](N=C(O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(=N[Si](C)(C)C)N[Si](C)(C)C)C(C)C)C(=O)O |
| Derivative InChIKey: | InChIKey=UPFGEFHDMRYEPR-QETTYECNSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_16) - 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: | C18H33N5O5 |
| Molecular Weight (Monoisotopic Mass): | 399.2482 Da |
| Derivative Type: | TMS_4_16 |
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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References