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Spectrum Details
HMDB ID:HMDB0060326
Compound Name:1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC1C2=CC=CC([N+](=O)[O-])=C2C=CC1O[Si](C)(C)C(C)(C)C)N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene GC-MS (TBDMS_3_6) - 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:C20H24N4O9S
Molecular Weight (Monoisotopic Mass):496.1264 Da
Derivative Type:TBDMS_3_6
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC1C2=CC=CC([N+](=O)[O-])=C2C=CC1O[Si](C)(C)C(C)(C)C)N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available