Predicted GC-MS Spectrum - GC-MS (TMS_2_21) - 70eV, Positive (PHUB001663)
Spectrum Details
PHUB ID: | PHUB001663 |
---|---|
Compound Name: | Petunidin 3-O-rutinoside |
Derivative IUPAC Name: | Not Available |
Derivative SMILES: | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O |
Derivative InChIKey: | Not Available |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_21) - 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
Relative Intensity
m/z
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: | C27H31O15 |
Molecular Weight (Monoisotopic Mass): | 595.1657 Da |
Derivative Type: | TMS_2_21 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O[Si](C)(C)C)=C3)[C@H](O)[C@@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)
Documentation
Not Available
References
Not Available