Table 1.
Peak | RT * | Theoretical m/z | Experimental m/z | Ion Formula | Error [ppm] | mSigma | Compound Name | Reference |
---|---|---|---|---|---|---|---|---|
A1 | 7.2 | 494.2800 | 494.2797 | C47H76N10O13 | −0.6 | 2.3 | Micropeptin K139 * | [12] |
A2 | 7.6 | 959.5249 | 959.5197 | C45H71N10O13 | −2.0 | 10.0 | Micropeptin 959 | [21] |
A3 | 7.9 | 995.5634 | 995.5560 | C49H75N10O12 | −0.3 | 16.5 | Microcystin–LR | [16] |
A4 | 8 | 1009.5774 | 1009.5717 | C50H77N10O12 | −0.7 | 20 | Microcystin HilR | [14] |
A5 | 8.0 | 973.5391 | 973.5353 | C46H73N10O13 | 4.1 | 8.6 | Micropeptin 973 | [13] |
A6 | 8.2 | 987.5548 | 987.5510 | C47H75N10O13 | −0.8 | 11.4 | Micropeptin B | [12] |
A7 | 9.5 | 1002.5237 | 1002.5183 | C52H72N7O13 | 2.1 | 5.8 | Microcystin-LY | [22] |
B1 | 7.0 | 728.4272 | 728.4229 | C38H58N5O9 | 5.2 | 14 | Microginin FR1 | [17] |
B2 | 7.2 | 742.4347 | 742.4379 | C39H60N5O9 | 0.7 | 1.9 | Microginin FR2/FR4 | [20] |
B3 | 7.6 | 756.4567 | 756.4542 | C40H62N5O9 | −3.2 | 5.3 | Microginin SD-755 | [23] |
B4 | 7.8 | 960.4188 | 960.4131 | C43H62N9O14S | 3.5 | 2.0 | Unknown | [20] |
* Detected as [M + 2H]2+. All other compounds were detected as [M + H]+. RT: Retention Time.