title: Parallel high-throughput accurate mass measurement using a nine-channel multiplexed electrospray liquid chromatography ultraviolet time-of-flight mass spectrometry system.
abstract: A nine-channel multiplexed electrospray (MUX) liquid chromatography ultraviolet time-of-flight mass spectrometry (LC/UV/TOFMS) system has been used to simultaneously measure accurate masses of eluting components from eight parallel gradient LC columns. Accuracies better than 5 and 10 ppm were achieved for 50 and 80% of samples, respectively, from a single batch analysis of ten plates (960 samples) of a Fmoc-Asp(OtBu)-OH and reserpine mixture. Combinatorial library compounds were analyzed using this parallel high-throughput system in both positive and negative modes to rigorously verify expected products and identify side products. A mass accuracy of 10 ppm root mean square (RMS) is routinely obtained for combinatorial library samples from this high-throughput accurate mass LC/MS system followed by automated data processing. This mass accuracy is critical in revealing combinatorial synthesis problems that would be missed by unit mass measurement.
authors.affiliation: ChemRx Division, Discovery Partners International, 385 Oyster Point Blvd. Suite # 1, South San Francisco, CA 94080, USA. Fang@chemrx.com
authors.forename: Liling
authors.initials: L
authors.lastname: Fang
authors.forename: Michael
authors.initials: M
authors.lastname: Demee
authors.forename: Jason
authors.initials: J
authors.lastname: Cournoyer
authors.forename: Teresa
authors.initials: T
authors.lastname: Sierra
authors.forename: Connie
authors.initials: C
authors.lastname: Young
authors.forename: Bing
authors.initials: B
authors.lastname: Yan
mesh_terms: D000409:Alanine / Q000032:analysis; D002138:Calibration; D002853:Chromatography, Liquid / Q000379:methods*; D004743:Enkephalin, Leucine / Q000032:analysis; D008970:Molecular Weight; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D013997:Time Factors
chemical_list: D004743:Enkephalin, Leucine; D000409:Alanine