A sulfatide-centered ultra-high resolution magnetic resonance MALDI imaging benchmark dataset for MS1-based lipid annotation tools

This record contains MALDI imaging raw data of tissue sections (kidney). We provide two sulfatide-centered, biology-driven magnetic resonance MSI (MR-MSI) datasets at different mass resolving powers of lipids in a mouse-model of human metachromatic leucodystrophy. The data includes an ultra-high resolution quantum cascade laser mid-infrared imaging-guided MR-MSI dataset and a high-resolution whole tissue section MALDI MSI dataset of n=4 biological replicates each. MSI data was acquired on a solariX 7T XR Fourier Transform Ion Cyclotron Resonance (FT-ICR) MS (Bruker Daltonics, Bremen, Germany). ). Mass spectra were acquired in negative ion mode (m/z range 401.29–2600) and data acquisition size of 8 M, resulting in a free induction decay (FID) time of 15.7s according to and a mass resolving power of 1,230,000 at m/z 800. Reducing the number of data points in the time domain to 512k resulted in an FID time of 0.98 s and a mass resolving power of R~77,000. Further information is available from the corresponding author upon request or available via related works (see additional details).本数据集包含肾脏组织切片的基质辅助激光解吸电离（Matrix-Assisted Laser Desorption/Ionization, MALDI）成像原始数据。 我们提供了两组以硫脂（sulfatide）为核心、基于生物学驱动的磁共振质谱成像（Magnetic Resonance Mass Spectrometry Imaging, MR-MSI）数据集，对应人类异染性脑白质营养不良（metachromatic leucodystrophy）小鼠模型中脂质的两种不同质量分辨能力。该数据集包含一套超高分辨率量子级联激光（quantum cascade laser, QCL）中红外成像引导的MR-MSI数据集，以及一套高分辨率全组织切片MALDI质谱成像数据集，二者各包含4个生物学重复样本（n=4）。 质谱成像数据采集于solariX 7T XR型傅里叶变换离子回旋共振（Fourier Transform Ion Cyclotron Resonance, FT-ICR）质谱仪（德国不来梅布鲁克道尔顿公司）。质谱数据采用负离子模式采集，质荷比（m/z）范围为401.29~2600，数据采集点数为8M，由此得到的自由感应衰减（Free Induction Decay, FID）时长为15.7秒，在m/z=800处的质量分辨能力可达1,230,000。若将时域数据点数降至512k，则自由感应衰减时长变为0.98秒，质量分辨能力约为77,000。 如需获取更多详细信息，可联系通讯作者，或通过相关研究文献查阅补充细节。