Characterization of chemical constituents in fruit of wrinkled and light papaya by UPLC-Q-Exactive Orbitrap-MS

The relative retention time, relative molecular mass, molecular formula, primary mass spectrometry data, and secondary mass spectrometry fragment ion details of the inferred chemical constituents from light-skinned papaya and wrinkled-skinned papaya are presented in these data.These data were obtained under specific chromatographic and mass spectrometric conditions with positive and negative mode TICs and mass spectra, and Xcalibur was used to calculate the high-resolution accurate mass numbers, fit the molecular formulae, and then match the information with the self-constructed database of the chemical constituents of papaya, and then identify them according to the principle that the deviation of the actual relative molecular mass from the theoretical relative molecular mass should not be more than 5×10^-6 .

本数据集收录了从光皮木瓜与皱皮木瓜中推定得到的化学成分的相对保留时间、相对分子质量、分子式、一级质谱数据以及二级质谱碎片离子细节信息。本数据集的数据采集于特定色谱与质谱条件下，包含正、负离子模式下的总离子流色谱图（Total Ion Chromatogram，TIC）与质谱图；实验采用Xcalibur软件计算高分辨精确质量数、拟合分子式，并将相关信息与自主构建的木瓜化学成分数据库进行匹配，随后依据实际相对分子质量与理论相对分子质量偏差不超过5×10^-6的原则完成成分鉴定。