“四维一体”数据库检索 —首先利用 LipidIMMS Analyzer 提出的“四维一体”数据分析流程,使用质荷比(m/z)、保留时间(Retention Time, RT)、碰撞截面积(Collision Cross Section, CCS)以及二级谱图(MS/MS spectra)四个维度的信息,将实验数据与理论预测的数据库进行多维信息匹配打分,给出在特定条件下可被鉴定的所有...
Recalibrate MS/MS spectraMichael StravsEawag
MS/MS spectra.Laura GrausoStefania MariggiòDaniela CordaAngelo FontanaAdele Cutignano
Bright Giant offers software solutions for small molecule identification by mass spectrometry based on state-of-the-art machine learning research.
*通过SpectraSP执行: 控制设备单元和机构; 使用各种探测器记录光辐射; 光谱测量结果的处理; 以光谱图形图像的形式可视化采集结果。 MS750配置图: 应用Application 1.拉曼光谱 2.等离子体发射光谱 3.荧光、发光测量 4.透射、吸收、反射测量 ꄴ 绵阳办公室:四川省绵阳市科技城新区创新中心12号楼321室。
Metabolite identification is the greatest challenge when analysing metabolomics data, as only a small proportion of metabolite reference standards exist. Clustering MS/MS spectra is a common method to identify similar compounds, however interrogation of
由于“地震强度频谱的比例定律”(The Scaling Law of Earthquake Spectra)的限制,在8.3-8.5左右会产生饱和效应,使得一些强度明显不同的地震在用传统方法计算后得出里氏震级数值却一样。到了21世纪初,地震学者普遍认为这些传统的震级表示方法已经过时,转而采用一种物理含义更为丰富,更能直接反应地震过程物理实质的表示方...
Traditional methods for automated metabolite identification compare the target MS or MS/MS spectrum to the spectra in a reference database, ranking candidates based on the closeness of the match. However the limited coverage of available databases has led to an interest in computational methods for ...
[19] Schilling B,Row R H, Gibson B W, et al. MS2Assign, automated assignment and nomenclature oftandem mass spectra of chemically crosslinked peptides. J. Am. Soc. Mass. Spectrom., 2003, 14(8): 834-850. [20] Bui, K.H. etal. Integratedstructural ana...
In addition to the enormous speed of MS Amanda, which is on average 1.5 ms per spectrum, it is also very accurate, as we observe a high overlap of identified spectra with gold-standard algorithms Mascot and SEQUEST. Furthermore, MS Amanda is able to identify more spectra also when ...