Spectrum Details
T3DB ID:T3D1649
Compound Name:Fluorescein isothiocyanate
Derivative IUPAC Name:5-isothiocyanato-3',6'-bis[(trimethylsilyl)oxy]-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
Derivative SMILES:C[Si](C)(C)OC1=CC=C2C(=C1)OC1=CC(O[Si](C)(C)C)=CC=C1C21OC(=O)C2=CC(N=C=S)=CC=C21
Derivative InChIKey:InChIKey=WKRRAPJMSLUPDI-UHFFFAOYSA-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:C21H11NO5S
Molecular Weight (Monoisotopic Mass):389.0358 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C2C(=C1)OC1=CC(O[Si](C)(C)C)=CC=C1C21OC(=O)C2=CC(N=C=S)=CC=C21)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available