MassAnalyzer: Machine learning-based mass spectrometry discovery

Introduction

MassAnalyzer v1.0 is a machine learning-based software, which can be used to calculate molecular formulas for nuclear ratio of organic matter on anion mass spectrometry containing nine elements of Carbon(C), Hydrogen (H), Oxygen (O), Nitrogen (N), Sulfur (S), Chlorine (Cl), Bromine (Br), Fluorine (F) and Phosphorus (P). Currently, three anion patterns are supported in MassAnalyzer: M-H, M- as well as both M-H and M-.

Result Examples

Figure 1. images of results calculated by MassAnalyzer.

MassAnalyzer Online

Input initial mass spectrometry (Example Download)

Please input the expectation of the maximum number of N(Nitrogen) atoms :

Please input the expectation of the maximum number of S(Sulfur) atoms :

Please input the expectation of the maximum number of Cl(Chlorine) atoms :

Please input the expectation of the maximum number of Br(Bromine) atoms :

Please input the expectation of the maximum number of F(Fluorine) atoms :

Please input the expectation of the maximum number of P(Phosphorus) atoms :

Please input the expectation of the maximum relative error : ppm

Please input your e-mail(where results will be sent to) :

Download

MassAnalyzer ReadMe
MassAnalyzer 使用说明

Contact: hbshen@sjtu.edu.cn