UPLC-Q-TOF data of Cotton Glacier exometabolites

Mass spectra of external metabolites were obtained with a 1290 Ultra Performance Liquid Chromatography system coupled to a 6538 Ultra High Definition Accurate-Mass Quadrupole-Time of Flight mass spectrometer operated in positive mode with an electrospray ionization source (Agilent Technologies). 30 mL of filtered media was concentrated per sample by solid phase extraction. External metabolites were re-suspended in 50% (v/v) acetonitrile, and were separated using a reverse-phase Kinetix 1.7 um C18, 100A, 150 mm - 2.1 mm column. Data presented are from UPLC-Q-TOF measurements of mass to charge ratio, retention time, and replicate-averaged extracted ion chromatogram abundance values (counts) of molecular species that demonstrated a significant change in abundance (Two-way ANOVA, adjusted P<0.01) during incubations based on time point (T0: d0, T1: d27, T2: d63, T3: d98) and carbon source (Cotton Glacier: CG, Pony Lake: PL, Suwannee River: SR).

本数据集的胞外代谢物质谱数据，由安捷伦科技（Agilent Technologies）公司的1290超高效液相色谱系统搭配6538超高清精确质量四极杆-飞行时间质谱仪采集得到，实验采用电喷雾电离源正离子模式。每样本取30 mL过滤后的培养基，通过固相萃取进行浓缩。将所得胞外代谢物重悬于50%（体积比）乙腈溶液中，采用反相Kinetix 1.7 μm C18、100Å、150 mm × 2.1 mm色谱柱完成分离。本数据集包含UPLC-Q-TOF质谱测定获得的分子物种质荷比、保留时间，以及经重复实验均值化后的提取离子色谱峰丰度值（计数单位）；所纳入的分子物种在基于培养时间点（T0：d0，T1：d27，T2：d63，T3：d98）与碳源（棉冰川：CG，小马湖：PL，苏万尼河：SR）的孵育过程中丰度均发生显著变化，该显著性通过双向方差分析（Two-way ANOVA）验证，校正后P值<0.01。