Predicted GC-MS Spectrum - GC-MS (TBDMS_2_4) - 70eV, Positive (M2MDB000927)
Spectrum Details
ECMDB ID: | ECMDB20078 |
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Compound Name: | 3,4-Dihydro-3-hydroxy-4-S-glutathionyl bromobenzene |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_2_4) - 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: | C16H22BrN3O7S |
Molecular Weight (Monoisotopic Mass): | 479.0362 Da |
Molecular Weight (Avergae Mass): | 480.331 Da |
Derivative Type: | TBDMS_2_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC(=O)CN=C(O)[C@H](CSC1C=CC(Br)=CC1O)N=C(CC[C@H](N)C(=O)O)O[Si](C)(C)C(C)(C)C)
Documentation
Document Description | Download |
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List of m/z values for the spectrum | Download file |
References
Not Available