| Vendor |
Data Format |
Import/Export |
Spectrum File |
Comments |
| ACD/Labs |
ACD/Labs Spectrum |
yes/yes |
*.esp |
|
| Agilent Technologies |
Agilent 1100 Series LC/MSD Quad and Ion Trap Systems |
yes/no |
*.ms, *.yep |
DAD data and single chromatogram curve are imported also. Splitter available |
| Agilent Technologies |
Agilent (HP) ChemStation |
yes/no |
*.ms |
Splitter available |
| Agilent Technologies |
Agilent LC TOF |
yes/no |
*.wiff |
|
| Agilent Technologies |
Agilent MassHunter (6000 series) |
yes/no |
*.bin |
Entire *.D folder structure should be used. Agilent component requires Microsoft .NET version 2. DAD can be imported (V12) |
| Applied Biosystems/MDS SCIEX |
MDS SCIEX Analyst Wiff |
yes/no |
*.wiff |
Single mass spectra, LC-MS and most LC-MSn imported. Splitter available. UV data not currently imported |
| Applied Biosystems/MDS SCIEX |
MDS SCIEX Analyst QS Wiff |
yes/no |
*.wiff |
Single mass spectra, LC-MS and most LC-MSn imported. Splitter available |
| Applied Biosystems |
Mariner Data Explorer ASCII LC/MS |
yes/no |
*.txt |
LC-MS data only |
| Bruker Daltonic and Agilent Technologies |
Agilent or Bruker LC/MS Ion Trap |
yes/no |
*.yep |
LC-MS and DAD data |
| Hitachi |
Hitachi M-8000 and D-7000 |
yes/no |
*.msd; *.dad |
LC-MS and DAD data |
| JEOL (Japan) |
JEOL-DX |
yes/no |
*.jsp, *.jpf, *.jmc |
Single mass spectra and chromatogram curves |
| JEOL (Japan) |
JEOL K9 |
yes/no |
*.spe |
LC(GC)-MS data |
| MasCom MASPEC II32 Data System |
MASPEC |
yes/no |
*.ms2 |
Single mass spectra and LC(GC)-MS data |
| Matlab/Eigenvector Research |
DSO format |
yes/yes |
*.mat |
Single mass spectra and LC(GC)-MS data |
| National Institute of Standards and Technology |
NIST MS Software |
yes/no |
*.msp |
Uses Lib2NIST to convert .msp to supported format (.hpj or .sdf) |
| National Institute of Standards and Technology |
NIST SDF Library |
yes/no |
*.sdf |
Splitter available |
| Shimadzu Corporation |
Shimadzu LCMS-IT-TOF |
yes/no |
*.lcd |
LC-MS and LC-MSn data only |
| Shimadzu Corporation |
Shimadzu GCMSsolution |
yes/no |
*.qgd |
GC-MS data (v11) |
| Shimadzu Corporation |
Shimadzu LCMSsolution |
yes/no |
*.qld |
DAD data and single chromatogram curve are imported also |
| Thermo Electron Corporation |
Xcalibur |
yes/no |
*.raw |
Data splitting by Scan Filter parameters is available; format is supported only for Windows NT 4.0, Windows 2000, and Windows XP. Splitter available |
| Thermo Finnigan |
Finnigan ICIS II |
yes/no |
*.dat |
Splitter available |
| Thermo Galactic |
Galactic |
yes/yes |
*.spc |
Export is available for single MS only |
| Unidata |
NetCDF |
yes/no |
*.cdf, *.nc |
Splitter available |
| Varian, Inc. |
Varian 1200 |
yes/no |
*.dat |
Splitter available |
| Varian, Inc. |
Varian 1200 |
yes/no |
*.xms |
Splitter available |
| Varian, Inc. |
Varian Saturn 2000 |
yes/no |
*.sms |
Splitter available |
| Waters Corporation |
MassLynx |
yes/no |
_functns.inf |
All files in the folder containing the _functns.inf file are necessary for data import. Splitter available
|
| Waters Corporation |
Micromass OpenLynx |
yes/no |
*.rpt |
Splitter available |
| Waters Corporation |
Waters Millennium32 |
yes/no |
|
|
| Waters Corporation |
Waters Millennium32 (2D PDA data) |
yes/no |
|
|
| Waters Corporation |
Waters Millennium32 (3D PDA data) |
yes/no |
|
|
| Waters Corporation |
Waters Empower (2D and 3D PDA data) and Empower 2 |
yes/no |
|
|
| Waters Corporation |
Waters Empower (3D MS data) |
yes/no |
|
LC-MS data only |
| Open Source |
ASCII |
yes/yes |
*.txt |
Single MS only |
| Open Source |
JCAMP |
yes/yes |
*.dx, *.jdx |
Splitter available |
| Open Source |
netCDF |
yes/yes |
*.cdf, *.nc |
Single MS and LC(GC)-MS data |
ACD/Labs is thoroughly committed to providing import filters for our customers' file formats. We strive to collaborate with all vendors effectively and amicably. We are already aware of, and trying to resolve, the format issues summarized below.
As always, any support that our mutual customers can contribute in communicating together with our vendor partners for format improvements will be valuable and deeply appreciated.
ACD/Labs users may contact Technical Support to discuss file import issues in more detail.
This table was last updated August 14, 2008.
| Vendor |
Data Format |
Import/Export |
Spectrum File |
Comments |
| Bruker Daltonic and Agilent Technologies |
Agilent or Bruker LC/MS Ion Trap |
yes/no |
*.yep |
Vendor working with us on polarity switching datasets may not be split |
| Applied Biosystems/MDS SCIEX |
MDS SCIEX Analyst Wiff |
yes/no |
*.wiff |
UV data not currently imported |
| Applied Biosystems/MDS SCIEX |
MDS SCIEX Analyst QS Wiff |
yes/no |
*.wiff |
Vendor discussing with us about some LC-MSn data that is not imported correctly |
| Waters |
MassLynx |
yes/no |
*.raw |
Some QTof data centroid mode with lock mass is not imported. Polarity switching datasets may not be split. Solution awaits vendor components |
