Nontargeted Analysis Strategy for the Identification of Phenolic Compounds in Complex Technical Lignin Samples.,ChemSusChem

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Nontargeted Analysis Strategy for the Identification of Phenolic Compounds in Complex Technical Lignin Samples.
ChemSusChem ( IF 7.5 ) Pub Date : 2020-05-29 , DOI: 10.1002/cssc.202000951
Jens Prothmann ₁ , Kena Li ₂ , Christian Hulteberg ₂ , Peter Spégel ₁ , Margareta Sandahl ₁ , Charlotta Turner ₁

Affiliation

Lignin is the second most abundant biopolymer in nature and a promising renewable resource for aromatic chemicals. For the understanding of different lignin isolation and conversion processes, the identification of phenolic compounds is of importance. However, given the vast number of possible chemical transformations, the prediction of produced phenolic structures is challenging and a nontargeted analysis method is therefore needed. In this study, a nontargeted analysis method has been developed for the identification of phenolic compounds by using an ultrahigh‐performance supercritical fluid chromatography–high‐resolution multiple stage tandem mass spectrometry method, combined with a Kendrick mass defect‐based classification model. The method is applied to a Lignoboost Kraft lignin (LKL), a sodium lignosulfonate lignin (SLS), and a depolymerized Kraft lignin (DKL) sample. In total, 260 tentative phenolic compounds are identified in the LKL sample, 50 in the SLS sample, and 77 in the DKL sample.

中文翻译：

用于鉴定复杂技术木质素样品中酚类化合物的非靶向分析策略。

木质素是自然界中第二丰富的生物聚合物，也是一种有前途的芳香族化学品的可再生资源。为了了解不同的木质素分离和转化过程，酚类化合物的鉴定非常重要。然而，考虑到大量可能的化学转化，产生的酚类结构的预测具有挑战性，因此需要一种非靶向分析方法。在本研究中，通过使用超高性能超临界流体色谱-高分辨率多级串联质谱方法，结合基于Kendrick质量缺陷的分类模型，开发了一种用于鉴定酚类化合物的非靶向分析方法。该方法适用于 Lignoboost 硫酸盐木质素 (LKL)、木质素磺酸钠木质素 (SLS) 和解聚硫酸盐木质素 (DKL) 样品。 LKL 样品中总共鉴定出 260 种暂定酚类化合物，SLS 样品中鉴定出 50 种，DKL 样品中鉴定出 77 种。

更新日期：2020-05-29

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