Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0054112)
Spectrum Details
| MiMe ID: | MMDBc0054112 |
|---|---|
| Compound Name: | 1-(9Z)-Octadecenoyl-2-(9Z,12Z)-octadecadienoyl-sn-glycero-3-phosphoethanolamine |
| Derivative IUPAC Name: | (2R)-1-[(9Z)-octadec-9-enoyloxy]-3-[({2-[(trimethylsilyl)amino]ethoxy}[(trimethylsilyl)oxy]phosphoryl)oxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate |
| Derivative SMILES: | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCCN[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=RZZVGTVXNNSOTA-CLAUPCLXSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C41H76NO8P |
| Molecular Weight (Monoisotopic Mass): | 741.5309 Da |
| Derivative Type: | TMS_2_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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References