Table 1 List of candidate formulas for the two clusters
(n,m) Candidate formulas for m/z 11,660 | (n,m) Candidate formulas for m/z 11,993 | ||||
---|---|---|---|---|---|
Formula | Mass | Deviation from 11,660 Da | Formula | Mass | Deviation from 11,993 Da |
(35, 35) | 11696.3 | +36.3 | (36, 36) | 12030.5 | +37.5 |
(36, 33) | 11618.8 | −41.2 | (37, 34) | 11952.9 | −40.1 |
(36, 34) | 11756.0 | +90.0 | (37, 35) | 12090.2 | +97.2 |
(37, 31) | 11541.3 | −118.7 | (38, 32) | 11875.5 | −117.5 |
(37, 32) | 11678.5 | +18.5 | (38, 33) | 12012.7 | +19.7 |
(38, 30) | 11601.1 | −58.9 | (39, 31) | 11935.3 | −57.7 |
(38, 31) | 11738.3 | +78.3 | (39, 32) | 12072.4 | +79.4 |
(39, 29) | 11660.8 | −0.8 | (40, 29) | 11875.7 | −117.3 |
(39, 30) | 11798.0 | +138 | (40, 30) | 11994.9 | +1.9 |
(40, 27) | 11583.4 | −76.6 | (41, 28) | 11917.5 | −75.5 |
(40, 28) | 11720.6 | +60.6 | (41, 29) | 12054.7 | +61.7 |
(41, 26) | 11643.1 | −16.9 | (42, 27) | 11977.2 | −15.8 |
(41, 27) | 11780.3 | +120.3 | (42, 28) | 12114.4 | +121.4 |
(42, 24) | 11565.6 | −94.4 | (43, 25) | 11899.7 | −93.3 |
(42, 25) | 11702.8 | +42.8 | (43, 26) | 12036.9 | +43.9 |
(43, 23) | 11625.4 | −34.6 | (44, 24) | 11959.5 | −33.5 |
(43, 24) | 11762.6 | +102.3 | (44, 25) | 12096.7 | +103.7 |
(44, 21) | 11547.9 | −112.1 | (45, 22) | 11882.0 | −111 |
(44, 22) | 11685.1 | +25.1 | (45, 23) | 12019.2 | +26.2 |
(45, 20) | 11607.7 | −52.3 | (46, 21) | 11941.9 | −51.1 |
(45, 21) | 11744.9 | +84.9 | (46, 22) | 12078.9 | +85.9 |