79
Software tools URL
Data type Details
MetaboSearch http://omicsgeorgetown.edu/metabosearch.html
MS/MS
This tool enables simultaneous m/z search from HMDB, MMCD,
Metlin, and LIPID MAPS and integrates the results
MS-Dial
http://prime.psc.riken.jp/MetabolomicsSoftware/
MS-DIAL/index.html
MS/MS
This software tool deals with both data-dependent and data-independent
MS/MS lipidomic datasets. It also supports compound identification,
peak alignment, and principal component analysis on the graphical user
interface. The spectrum information is outputted by MassBank, NIST,
and Mascot formats, and the organized data matrix (sample vs
metabolite) is exported as tab delimited text file
MS-Lamp
http://ms-lamp.igib.res.in/
ESI-MS,
MALD-MS
Mass spectrometry- based lipid(ome) analyzer and molecular platform
(MS-Lamp) is a stand-alone software capable of aiding and interpreting
ESI and/or MALDI-MS spectrometric data of lipids
MZmine2
http://mzmine.sourceforge.net/
LC-MS
A framework for data processing and visualizing of metabolomics data
including lipidomic data (not specifically dedicated to lipidomics data)
NIST
http://www.nist.gov/srd/nist1a.cfm
GC,
LC-MS,
MS/MS
A comprehensive MSRI library covering >200,000 EI spectra for
metabolites (including lipids)
SimLipid
®
http://premierbiosoft.com/lipid/index.html
LC-MS,
LC-MS/
MS, MS/
MS
It is a high-throughput lipid identification as well as qualitative and
quantitative data analysis tool that accepts experimental MS and MS/MS
data, enables lipid profiling by searching precursors against the known
lipid structures, and elucidates an unknown structure by matching
experimental product ions against theoretical fragments of lipids from
the database
VaLID
http://neurolipidomics.ca/
MS/MS
It is a web-based software that returns all theoretically possible
phospholipids for a given m/z value and MS condition. It links a search
engine, a phospholipid DB, and multiple visualization features for
identification and dissemination of large-scale lipidomic datasets
4 Seaweed Lipidomics in the Era of ‘Omics’ Biology: A Contemporary Perspective
Software tools URL
Data type Details
MetaboSearch http://omicsgeorgetown.edu/metabosearch.html
MS/MS
This tool enables simultaneous m/z search from HMDB, MMCD,
Metlin, and LIPID MAPS and integrates the results
MS-Dial
http://prime.psc.riken.jp/MetabolomicsSoftware/
MS-DIAL/index.html
MS/MS
This software tool deals with both data-dependent and data-independent
MS/MS lipidomic datasets. It also supports compound identification,
peak alignment, and principal component analysis on the graphical user
interface. The spectrum information is outputted by MassBank, NIST,
and Mascot formats, and the organized data matrix (sample vs
metabolite) is exported as tab delimited text file
MS-Lamp
http://ms-lamp.igib.res.in/
ESI-MS,
MALD-MS
Mass spectrometry- based lipid(ome) analyzer and molecular platform
(MS-Lamp) is a stand-alone software capable of aiding and interpreting
ESI and/or MALDI-MS spectrometric data of lipids
MZmine2
http://mzmine.sourceforge.net/
LC-MS
A framework for data processing and visualizing of metabolomics data
including lipidomic data (not specifically dedicated to lipidomics data)
NIST
http://www.nist.gov/srd/nist1a.cfm
GC,
LC-MS,
MS/MS
A comprehensive MSRI library covering >200,000 EI spectra for
metabolites (including lipids)
SimLipid
®
http://premierbiosoft.com/lipid/index.html
LC-MS,
LC-MS/
MS, MS/
MS
It is a high-throughput lipid identification as well as qualitative and
quantitative data analysis tool that accepts experimental MS and MS/MS
data, enables lipid profiling by searching precursors against the known
lipid structures, and elucidates an unknown structure by matching
experimental product ions against theoretical fragments of lipids from
the database
VaLID
http://neurolipidomics.ca/
MS/MS
It is a web-based software that returns all theoretically possible
phospholipids for a given m/z value and MS condition. It links a search
engine, a phospholipid DB, and multiple visualization features for
identification and dissemination of large-scale lipidomic datasets
4 Seaweed Lipidomics in the Era of ‘Omics’ Biology: A Contemporary Perspective