Table 2:
Search results for Sample 59 using the low-fragmentation mass spectrum and all available is-CID mass spectra. Since the actual compound was not in the library these results were categorized as undesirable.
| DIT Target # | Target m/z | Relative Intensity (%) | Peak Identification | FPIE Score (low) | RevMF Score (low) | FPIE Score (low, mid, high) | ReMF Score(low, mid, high) |
|---|---|---|---|---|---|---|---|
|
| |||||||
| 1 | 250.1442 | 100.0 | 3’,4’-Methylenedioxy-N,N-diethylcathinone | 0.892 | 0.991 | 0.673 | 0.655 |
| 3’,4’-Methylenedioxy-N-tert-butylcathinone | 0.752 | 0.959 | 0.649 | 0.563 | |||
| 3’,4’-Methylenedioxy-α-dimethylamino-Isovalerophenone | 0.795 | 0.984 | 0.810 | 0.721 | |||
| 3,4-Methylenedioxy-α-methylaminohexanophenone | 0.840 | 0.981 | 0.845 | 0.851 | |||
| 3,4-Methylenedioxy-α-methylaminoisohexanophenone | 0.841 | 0.985 | 0.935 | 0.713 | |||
| 3’4’-methylenedioxy-α-ethylamino-Isovalerophenone | 0.812 | 0.993 | 0.743 | 0.853 | |||
| N,N-Dimethylpentylone | 0.859 | 0.993 | 0.862 | 0.950 | |||
|
| |||||||
| 2 | 251.1464 | 27.8 | Isotope Match of Target 1 | -- | -- | -- | -- |