Inositol phosphates, particularly myo-inositol hexakisphosphate (myo-IP6), are an important pool of soil organic phosphorus (P) in terrestrial ecosystems. To measure concentrations of myo-IP6 in alkaline soil extracts, solution 31P nuclear magnetic resonance (NMR) spectroscopy is commonly used. However, overlap of the NMR peaks of myo-IP6 with several other peaks in the phosphomonoester region requires spectral deconvolution fitting (SDF) to partition the signals and quantify myo-IP6. At present, two main SDF approaches are in use; the first fits a Lorentzian/Gaussian lineshape to the myo-IP6 peaks directly to the baseline without an underlying broad signal, and the second fits a Lorentzian/Gaussian lineshape to the myo-IP6 peaks simultaneously with an underlying broad peak. The aim of this study was to compare the recovery of added myo-IP6 to soil extracts using both SDF procedures for six soil samples of diverse origin and differing concentrations of organic P (112 to 1505 mg P per kgsoil). The average recovery of total added myo-IP6 was 95% (SD 5) and 122% (SD 32) using SDF with and without an underlying broad signal, respectively. The recovery of individual peaks of myo-IP6 differed, most notably, the C5 phosphate peak of myo-IP6 was overestimated by up to 213% when a broad peak was not included in SDF. Based on the SDF procedure that includes a broad peak, concentrations of myo-IP6 ranged from 0.6 to 90.4 mg P per kgsoil, which comprised 1-23% of total phosphomonoesters. Our results demonstrate that the SDF procedure with an underlying broad signal is essential for the accurate quantification of myo-IP6 in soil extracts.

中文翻译：

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使用溶液31P NMR光谱和包括宽信号的光谱解卷积拟合对土壤中的Myo-IP6进行定量测量。

磷酸肌醇，尤其是肌醇六磷酸肌醇（myo-IP6），是陆地生态系统中重要的土壤有机磷（P）库。为了测量碱性土壤提取物中myo-IP6的浓度，通常使用溶液31P核磁共振（NMR）光谱。然而，myo-IP6的NMR峰与磷酸单酯区域中的其他几个峰的重叠需要光谱去卷积拟合（SDF）来划分信号并量化myo-IP6。当前，使用了两种主要的SDF方法：第一个将Lorentzian / Gaussian线形与myo-IP6峰直接拟合到基线，而没有潜在的宽信号，第二个使Lorentzian / Gaussian线形与myo-IP6峰与下面的宽峰同时拟合。这项研究的目的是比较两种不同来源和不同有机磷浓度（每公斤土壤112至1505 mg P）的6种土壤样品的SDF程序，比较向土壤提取物中添加的myo-IP6的回收率。使用带有和不带有潜在的广泛信号的SDF，总添加的myo-IP6的平均回收率分别为95％（SD 5）和122％（SD 32）。myo-IP6各个峰的回收率有所不同，最值得注意的是，当SDF中不包含宽峰时，myo-IP6的C5磷酸峰被高估了高达213％。基于包括一个宽峰的SDF程序，myo-IP6的浓度范围为每千克土壤0.6到90.4 mg P，占磷酸单酯总量的1-23％。