Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0000314)
Spectrum Details
| MiMe ID: | MMDBc0000314 |
|---|---|
| Compound Name: | (S,S)-butane-2,3-diol |
| Derivative IUPAC Name: | (4S,5S)-2,2,4,5,7,7-hexamethyl-3,6-dioxa-2,7-disilaoctane |
| Derivative SMILES: | C[C@H](O[Si](C)(C)C)[C@H](C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ZAPDHFWCOMITJN-UWVGGRQHSA-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: | C4H10O2 |
| Molecular Weight (Monoisotopic Mass): | 90.0681 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 | 523 Bytes |
| mzML formatted file (MZML) | Download file | 4.42 KB |
References