Table 2.
p(corr) | Ret. time (min) |
m/z (ESI+)
|
Mass error (ppm) | Empirical formula [M+H]+ | Identity | |
---|---|---|---|---|---|---|
Observed | Calculated | |||||
−0.982 | 4.88 | 361.201 | 361.202 | −2.77 | C21H29O5 | Aldosterone |
−0.979 | 4.16 | 377.197 | 377.196 | 2.65 | C21H29O6 | 18-Oxocortisola |
−0.972 | 3.47 | 206.081 | 206.082 | −4.85 | C11H12NO3 | dl-3-Indolelactate |
−0.922 | 1.10 | 131.050 | 131.050 | 0 | C9H7Ob | l-Phenylalanineb |
−0.911 | 2.61 | 194.081 | 194.082 | −5.15 | C10H12NO3 | N-Phenylacetylglycine |
−0.891 | 5.24 | 363.219 | 363.217 | 5.51 | C21H29O5 | DHOPA |
−0.858 | 5.34 | 361.204 | 361.202 | 5.54 | C21H29O5 | HDOPA |
−0.871 | 3.35 | 131.051 | 131.050 | 7.63 | C9H7Ob | N-Acetyl-l-phenylalanineb |
p(corr), The modeled correlation or confidence.
Putative identification only. Authentic standards were not available for confirmation.
In-source fragment; putative empirical formula of fragment provided.