Table 2. VE and SC Scores of the Ion Images Corresponding to the 11 Compounds Reported by Römpp et al.10 and Their Corresponding Rank among the 1053 Candidate Ion Images That Remain after Removing Those with Fewer Than 200 Nonzero Pixels.
compound | mass | VE | percentile | rank (VE) | SC | percentile | rank (SC) |
---|---|---|---|---|---|---|---|
LPC (16:0), [M + K]+ | 535.296 | 0.1770 | 92.76 | 74 | 0.9897 | 94.52 | 56 |
LPC (18:0), [M + K]+ | 562.327 | 0.2732 | 98.14 | 19 | 0.9964 | 99.12 | 9 |
heme b, M+ | 616.177 | 0.2385 | 96.67 | 34 | 0.9261 | 70.84 | 298 |
unknown | 713.452 | 0.0911 | 75.93 | 246 | 0.9444 | 73.68 | 269 |
SM (16:0) | 742.531 | 0.2140 | 95.50 | 46 | 0.9953 | 98.24 | 18 |
unknown | 743.548 | 0.1921 | 94.42 | 57 | 0.9691 | 84.34 | 160 |
PC(32:1), [M + K] | 770.507 | 0.2688 | 97.95 | 21 | 0.9814 | 88.85 | 114 |
SM(18:0), [M + K] | 770.565 | 0.1439 | 87.87 | 124 | 0.9849 | 90.90 | 93 |
PC (32:0),[M + K]+ | 772.525 | 0.3177 | 98.83 | 12 | 0.9975 | 99.80 | 2 |
PC (34:1), [M + K]+ | 798.541 | 0.3383 | 99.02 | 10 | 0.9979 | 99.90 | 1 |
PE(38:1) | 812.557 | 0.1623 | 91.39 | 88 | 0.9909 | 95.21 | 49 |