Predicted GC-MS Spectrum - Dinophysistoxin 1 GC-MS (TMS_1_3) - 70eV, Positive (HMDB0030442)
Spectrum Details
| HMDB ID: | HMDB0030442 |
|---|---|
| Compound Name: | Dinophysistoxin 1 |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=C1C(O)C2OC3(CCC(/C=C/C(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)O[Si](C)(C)C)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCC1C)OCCCC2C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Dinophysistoxin 1 GC-MS (TMS_1_3) - 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: | C45H70O13 |
| Molecular Weight (Monoisotopic Mass): | 818.4816 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C1C(O)C2OC3(CCC(/C=C/C(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)O[Si](C)(C)C)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCC1C)OCCCC2C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 758 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available