Table 2.
Molecular ion | Calculated | Experimental | Deviation | |
---|---|---|---|---|
m/z | m/z | Da | ||
Y+ | 1242.6683 | 1242.6794 | 0.0111 | |
Z+ | 1224.6577 | 1224.6785 | 0.0208 | |
[y8 − B]+ | 1113.6252 | 1113.6384 | 0.0132 | |
[b8 − B]+ | 1068.5572 | 1068.5932 | 0.0360 | |
[b7 − B]+ | 997.5201 | 997.5436 | 0.0235 | |
[b6 − B]+ | 910.4880 | 910.5089 | 0.0209 | |
[b5 − B]+ | 823.4560 | 823.4703 | 0.0143 | |
[b5 − B − H2O]+ | 805.4454 | 805.4549 | 0.0095 | |
|
733.4197 | 733.4340 | 0.0143 | |
[b4 − B]+ | 722.4083 | 722.4164 | 0.0081 | |
[b4 − B − H2O]+ | 704.3977 | 704.4081 | 0.0104 | |
|
634.3513 | 634.3576 | 0.0063 | |
[b3 − B]+ | 609.3243 | 609.3292 | 0.0049 | |
[b3 − B − H2O]+ | 591.3137 | 591.3171 | 0.0034 | |
|
521.2673 | 521.2713 | 0.0040 | |
[b2 − B]+ | 510.2558 | 510.2563 | 0.0005 | |
[b2 − B − H2O]+ | 492.2452 | 492.2474 | 0.0022 | |
|
420.2196 | 420.2190 | −0.0006 | |
|
336.1918 | 336.1918 | 0.0000 | |
|
333.1875 | 333.1851 | −0.0024 | |
B+ | 262.1290 | 262.1265 | −0.0025 | |
[B − H2O]+ | 244.1179 | 244.1142 | −0.0037 | |
[B − 2H2O]+ | 226.1079 | 226.1047 | −0.0032 | |
|
222.1237 | 222.1187 | −0.0050 | |
|
175.1184 | 175.1162 | −0.0022 | |
[2,5A − 2H2O]+ | 152.0706 | 152.0663 | −0.0043 | |
[B − C4H6O3]+ | 142.0863 | 142.0815 | −0.0048 | |
[2,5A − CH4O3]+ | 124.0757 | 124.0708 | −0.0049 |