Skip to main content
. 2014 Jan 2;9(1):e84583. doi: 10.1371/journal.pone.0084583

Table 2. Summary of identifiable ions differentially present between Hmgn5+/+ and Hmgn5tm1/Y mice.

Liver
Scores Contribution Pcorr Ret. Time (min) m/z (ESI+) Mass Error (ppm) Empirical Formula Identity
Observed Calculated
25.20 0.893 0.3007 308.0905 308.0916 −3.570 C10H17N3O6S Glutathione
Urine
Scores Contribution Pcorr Ret. Time (min) m/z (ESI+) Mass Error (ppm) Empirical Formula Identity
Observed Calculated
6.98 0.742 1.3519 220.1180 220.1185 −2.271 C9H17NO5 Pantothenic Acid
−5.17 −0.859 0.3078 118.0872 118.0868 3.387 C5H11NO2 Betaine
−2.88 −0.583 0.305 132.0780 132.0773 5.300 C4H9N3O2 Creatine
Scores Contribution Pcorr Ret. Time (min) m/z (ESI−) Mass Error (ppm) Empirical Formula Identity
Observed Calculated
13.08 0.723 2.5496 192.0655 192.0661 −3.124 C10H11NO3 Phenylacetylglycine

Scores contribution = weighted difference between data point and average of the model; Pcorr = modeled correlation or confidence; m/z = mass to charge ratio; ESI+ = Positive Electrospray Ionization mode; The position of the ions in an S plot generated from the OPLS is shown in Figure 2. ESI− = Negative Electrospray Ionization mode; Ret. Time = Retention Time.