Spectrum Details
T3DB ID:T3D4916
Compound Name:Fast green FCF
Derivative IUPAC Name:3-({ethyl[(1E,4E)-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(4-hydroxy-3-{[(trimethylsilyl)oxy]sulfonyl}phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl}methyl)benzene-1-sulfonate
Derivative SMILES:CCN(CC1=CC=CC(S(=O)(=O)O)=C1)C1=CC=C(C(=C2C=CC(=[N+](CC)CC3=CC=CC(S(=O)(=O)[O-])=C3)C=C2)C2=CC=C(O)C(S(=O)(=O)O[Si](C)(C)C)=C2)C=C1
Derivative InChIKey:InChIKey=AURLBFPXNLOCHG-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - 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:C37H36N2O10S3
Molecular Weight (Monoisotopic Mass):764.1532 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCN(CC1=CC=CC(S(=O)(=O)O)=C1)C1=CC=C(C(=C2C=CC(=[N+](CC)CC3=CC=CC(S(=O)(=O)[O-])=C3)C=C2)C2=CC=C(O)C(S(=O)(=O)O[Si](C)(C)C)=C2)C=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available