Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (T3D1649)
Spectrum Details
T3DB ID: | T3D1649 |
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Compound Name: | Fluorescein isothiocyanate |
Derivative IUPAC Name: | 6'-hydroxy-5-isothiocyanato-3'-[(trimethylsilyl)oxy]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one |
Derivative SMILES: | C[Si](C)(C)OC1=CC=C2C(=C1)OC1=CC(O)=CC=C1C21OC(=O)C2=CC(N=C=S)=CC=C21 |
Derivative InChIKey: | InChIKey=BFLVCWDUHWZKJW-UHFFFAOYNA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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 |
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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: | TMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C2C(=C1)OC1=CC(O)=CC=C1C21OC(=O)C2=CC(N=C=S)=CC=C21)
Documentation
Document Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available