Electrospray Quadrupole Travelling Wave Ion Mobility Time-of-Flight Mass Spectrometry for the Detection of Plasma Metabolome Changes Caused by Xanthohumol in Obese Zucker (fa/fa) Rats
Abstract
:1. Introduction
2. Results and Discussion
2.1. HPLC-TOF-MSE Analysis
2.1.1. Identification of Up-/Down -Regulated Metabolites
Putative metabolites | Up-/down-regulation (T/C) | m/z | Molecular formula | Mass error (ppm) | Detected fragments |
---|---|---|---|---|---|
Hexadecanedioic acid | ↑ | 285.206 | C16H30O4 | −2.45 | [M–H–H2O]− |
Lauroyl–EA | ↓ | 244.228 | C14H29NO2 | 2.87 | [M+H–H2O]+ |
Octadecanedioic acid | ↑ | 313.237 | C18H34O4 | −3.51 | [M–H–H2O]− |
PA(18:1/0:0) | ↓ | 435.254 | C21H41O7P | 4.82 | [FA 18:1–H]− |
PA(18:2/0:0) | ↓ | 433.236 | C21H39O7P | −1.15 | [FA 18:2–H]− |
PA(20:4/0:0) | ↓ | 457.235 | C23H39O7P | −3.5 | 153 [C3H6PO5]− |
PA(O–16:0/18:2) | ↓ | 657.485 | C37H71O7P | −1.67 | [FA 18:2–H]− |
PG(18:1/0:0) | ↓ | 509.287 | C24H47O9P | −2.55 | (153 [C3H6PO5]−), [FA 18:1–H]− |
PI(18:3/0:0) | ↑ | 593.273 | C27H47O12P | 0.34 | 153 [C3H6PO5]− |
PI(P–18:0/22:4) | ↑ | 897.583 | C49H87O12P | −3.57 | 153 [C3H6PO5]− |
PS(18:4/22:6) | ↓ | 826.464 | C46H70NO10P | −3.62 | (153 [C3H6PO5]−), [FA 22:6–H]− |
PS(20:1/22:6) | ↓ | 862.559 | C48H80NO10P | −0.35 | [M+H–185]+ |
Sphingosine–1–phosphate | ↓ | 378.24 | C18H38NO5P | −4.49 | (79 [PO3]−), (97 [H2PO4]−) |
2.2. Traveling Wave Ion Mobility Mass Spectrometry (LC-IMS-MSE Analysis)
Ion Mobility-Mass Correlation Analyses
3. Experimental Section
3.1. Sample Preparation
3.2. LC-MS Analysis
3.2.1. LC Setup
3.2.2. MSE
3.2.3. IMS-MSE
3.3. LC-MS Data Preprocessing and Statistical Analysis
4. Conclusions
Acknowledgments
Conflict of Interest
References
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Wickramasekara, S.I.; Zandkarimi, F.; Morré, J.; Kirkwood, J.; Legette, L.; Jiang, Y.; Gombart, A.F.; Stevens, J.F.; Maier, C.S. Electrospray Quadrupole Travelling Wave Ion Mobility Time-of-Flight Mass Spectrometry for the Detection of Plasma Metabolome Changes Caused by Xanthohumol in Obese Zucker (fa/fa) Rats. Metabolites 2013, 3, 701-717. https://doi.org/10.3390/metabo3030701
Wickramasekara SI, Zandkarimi F, Morré J, Kirkwood J, Legette L, Jiang Y, Gombart AF, Stevens JF, Maier CS. Electrospray Quadrupole Travelling Wave Ion Mobility Time-of-Flight Mass Spectrometry for the Detection of Plasma Metabolome Changes Caused by Xanthohumol in Obese Zucker (fa/fa) Rats. Metabolites. 2013; 3(3):701-717. https://doi.org/10.3390/metabo3030701
Chicago/Turabian StyleWickramasekara, Samanthi I., Fereshteh Zandkarimi, Jeff Morré, Jay Kirkwood, LeeCole Legette, Yuan Jiang, Adrian F. Gombart, Jan F. Stevens, and Claudia S. Maier. 2013. "Electrospray Quadrupole Travelling Wave Ion Mobility Time-of-Flight Mass Spectrometry for the Detection of Plasma Metabolome Changes Caused by Xanthohumol in Obese Zucker (fa/fa) Rats" Metabolites 3, no. 3: 701-717. https://doi.org/10.3390/metabo3030701