Table 1.
Molecular ion | Calculated m/z |
Experimental m/z |
Deviation (Da) |
---|---|---|---|
[M + H]+ | 1951.0158 | 1951.0180 | 0.002 |
[M + H - CH2O]+ | 1921.0052 | 1921.0932 | 0.088 |
[M + H - CH10O3]+ | 1880.9528 | 1881.1765 | 0.224 |
Y3+ | 1691.8738 | 1691.8829 | 0.009 |
Y2+ | 1545.8159 | 1545.8376 | 0.022 |
Y1+ | 1399.758 | 1399.7768 | 0.019 |
[y7 - B2]+ | 1361.6947 | 1361.7265 | 0.032 |
Y0+ | 1253.7001 | 1253.7010 | 0.001 |
[Y0 - NH3]+ | 1236.6735 | 1236.6813 | 0.008 |
[b3 - C5H11NO2]+ | 1145.5711 | 1145.5757 | 0.005 |
[b4 - B4]+ | 636.3715 | 636.2715 | −0.100 |
y5+ | 618.3558 | 618.2805 | −0.075 |
[b3 - B4]+ | 565.3442 | 565.2661 | −0.078 |
y3+ | 345.2245 | 345.1345 | −0.090 |
C17H26N3O4+ | 336.1918 | 336.1242 | −0.068 |
B1+ | 260.1492 | 260.0739 | −0.075 |
y2+ | 246.1561 | 246.0775 | −0.079 |
[B1 - H2O]+ | 242.1387 | 242.0709 | −0.068 |
2,5A1+ | 230.1387 | 230.0719 | −0.067 |
z2+ | 229.1306 | 229.0569 | −0.074 |
C11H16N3O2+ | 222.1237 | 222.0670 | −0.057 |
[C1 - C3H7O]+ | 202.1074 | 202.0350 | −0.072 |
y1+ | 175.119 | 175.0651 | −0.054 |
[C1 - C5H11NO2]+ | 159.0652 | 159.0486 | −0.017 |
[y1 - CH2O2]+ | 129.1134 | 129.0679 | −0.045 |
[z1 - CH2O2]+ | 112.0869 | 112.0527 | −0.034 |
[z1 - CH4O2]+ | 110.0713 | 110.0414 | −0.030 |