Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 70eV, Positive (T3D1649)
Spectrum Details
| T3DB ID: | T3D1649 |
|---|---|
| Compound Name: | Fluorescein isothiocyanate |
| Derivative IUPAC Name: | 3',6'-bis[(tert-butyldimethylsilyl)oxy]-5-isothiocyanato-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one |
| Derivative SMILES: | CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)OC1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1C21OC(=O)C2=CC(N=C=S)=CC=C21 |
| Derivative InChIKey: | InChIKey=ANECZVQGEQICEE-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_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: | C21H11NO5S |
| Molecular Weight (Monoisotopic Mass): | 389.0358 Da |
| Derivative Type: | TBDMS_2_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC1=CC=C2C(=C1)OC1=CC(O[Si](C)(C)C(C)(C)C)=CC=C1C21OC(=O)C2=CC(N=C=S)=CC=C21)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 746 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available