13C NMR data for the five dissolved organic matter

Dissolved organic matter (DOM) is one of the most complex, dynamic, and abundant sources of organic carbon, but its chemical reactivity remains uncertain. Greater insights into DOM structural features could facilitate understanding its synthesis, turnover, and processing in the global carbon cycle. Here we use complementary multiplicity-edited 13C NMR spectra to quantify key substructures assembling the carbon skeletons of DOM from four main Amazon rivers and two mid-size Swedish boreal lakes. We find that one type of reaction mechanism, oxidative dearomatization (ODA), widely used in organic synthesic chemistry to create natural product scaffolds, is likely a key driver for generating structural diversity during processing of DOM that are rich in suitable polyphenolic precursor molecules. Our data suggest a high abundance of tetrahedral quaternary carbons bound to one oxygen and three carbon atoms (OCqC3 units). These units are rare in common biomolecules but could be readily produced ..., These files comprise 13C NMR section integrals for the five DOM, divided into buckets of 0.1 ppm width, and ranging from dC = 0 – 235 ppm. The total integral of these 13C NMR spectra is area normalized to Call = 100% for all five DOM, and to CH0123 according to its proportions. The 13C NMR section integral from dC = 47 - 51 ppm is set to zero for all five 13C NMR spectra of DOM, because of interference from the solvent 12CD3OD, which resonates at dC = 49.0 ppm., , # 13C NMR data for the five dissolved organic matter

Five *.pdf files with the 13C NMR data for the five dissolved organic matter investigated. N-DOM (DOM in the Negro River), S-DOM (DOM in the Solimões River), A-DOM (DOM in the Amazonas River), T-DOM (DOM in the Tapajós River), B-DOM (DOM in the boreal lakes).

## Description of the data and file structure

These files comprise 13C NMR section integrals for the five DOM, divided into buckets of 0.1 ppm width, and ranging from δC = 0 – 235 ppm. The total integral of these 13C NMR spectra is area normalized to Call = 100% for all five DOM, and to CH0123 according to its proportions. The 13C NMR section integral from δC = 47 - 51 ppm is set to zero for all five 13C NMR spectra of DOM, because of interference from the solvent 12CD3OD, which resonates at δC = 49.0 ppm.

## Methods Overview

A Bruker Avance III spectrometer and TopSpin 3.6/PL6 software were used to acquire 13C nuclear magnetic resonance (NMR) spectra of re-dissolved DOM (...

溶解性有机质（Dissolved Organic Matter, DOM）是最复杂、动态且含量丰富的有机碳来源之一，但其化学反应活性仍未明确。对DOM结构特征的深入解析，将有助于理解其在全球碳循环中的合成、周转与转化过程。本研究采用互补的多重编辑碳-13核磁共振（13C Nuclear Magnetic Resonance, 13C NMR）谱图，对亚马逊流域4条主要河流以及瑞典2座中型寒带湖泊中DOM的碳骨架关键亚结构进行定量分析。研究发现，一种广泛应用于有机合成化学以构建天然产物骨架的反应机制——氧化脱芳构化（Oxidative Dearomatization, ODA），很可能是富含多酚类前体分子的DOM在转化过程中产生结构多样性的关键驱动因素。数据表明，体系中存在大量结合1个氧原子与3个碳原子的四面体季碳（OCqC3单元）；这类单元在常见生物分子中较为罕见，但可通过...（原文此处截断）。

本数据集包含5组DOM的13C NMR谱峰积分数据，以0.1 ppm为区间宽度进行分箱，化学位移范围覆盖δC = 0 ~ 235 ppm。所有5组DOM的13C NMR谱图总积分均经面积归一化至总碳（Call）= 100%，并依据CH0123的占比进行校准。由于溶剂12CD3OD在δC = 49.0 ppm处存在共振峰干扰，所有5组DOM的13C NMR谱图中δC = 47 ~ 51 ppm区间的峰积分均被设为0。

# 碳-13核磁共振数据：5组溶解性有机质

包含5份对应5组受试溶解性有机质的*.pdf数据文件，分别为：N-DOM（内格罗河溶解性有机质）、S-DOM（索利蒙伊斯河溶解性有机质）、A-DOM（亚马孙河溶解性有机质）、T-DOM（塔帕若斯河溶解性有机质）、B-DOM（寒带湖泊溶解性有机质）。

## 数据与文件结构说明
本数据集包含5组DOM的13C NMR谱峰积分数据，以0.1 ppm为区间宽度进行分箱，化学位移范围覆盖δC = 0 ~ 235 ppm。所有5组DOM的13C NMR谱图总积分均经面积归一化至总碳（Call）= 100%，并依据CH0123的占比进行校准。由于溶剂12CD3OD在δC = 49.0 ppm处存在共振峰干扰，所有5组DOM的13C NMR谱图中δC = 47 ~ 51 ppm区间的峰积分均被设为0。

## 方法概述
本研究采用布鲁克Avance III型光谱仪与TopSpin 3.6/PL6软件，采集重溶后DOM的13C核磁共振（13C NMR）谱图（原文未完整展示后续内容）。