Chrombox | Data

Chromatographic and mass spectrometric data are available for fatty acid methyl esters (FAME) in form of retention index maps and mass spectral libraries. The libraries are available in Matlab, JCAMP-DX and Agilent Chemstation formats. Each compound has been assigned a specific code, a name, and a short name. Overview of the assignments is given in the Register. Retention indices for FAME are equivalent chain lengths (ECL).

Interactive register and retention index maps for fatty acid methyl esters (FAME):

Interactive register with spectra structures and retention indices:

Interactive retention index maps (ECL values)

Equivalent chain length map for BPX70 (SGE):
Equivalent chain length map for Wax columns (BP20, CP-Wax 52):
Equivalent chain length map for DB225 (Agilent):
Equivalent chain length map for SLB-IL61 (Supelco):
Equivalent chain length map for SLB-IL82 (Supelco):
Equivalent chain length map for SLB-IL100 (Supelco):
Equivalent chain length map for 5% phenyl (DB5, HP5):

Interactive retention index maps (Kováts indexes)

Kováts Index maps for Wax columns (BP20, CP-Wax 52):
Kováts Index maps for DB225 (Agilent):
Kováts Index maps for 5% phenyl (DB5, HP5):

MS libraries for fatty acid methyl esters (FAME):

The register for the FAME project

Food products, BPX70 Samples are basically food products, marine organisms and reference mixtures. Data are acquired on an Agilent 5890/5972 GC-MS using the following chromatographic conditions: Column: BPX70 (SGE), L= 60 m, i.d. = 0.25 mm, film thickness = 0.25 μm. Temperature program: Injection at 60°C, isothermal for 4 min, 30°C/min to 160°C, 2°C/min to 260°C. Carrier gas: Helium at 26 cm/s.	Retention index map: MS libraries:
Marine organisms, CP-Wax 52 Samples are basically marine organisms and reference mixtures. Data are acquired on an Agilent 7890/5975 GC-MS using the following chromatographic conditions: Column: CP-Wax 52cb (Agilent), L= 25 m, i.d. = 0.25 mm, film thickness = 0.25 μm. Temperature program: Injection at 90°C, isothermal for 2 min, 15°C/min to 150°C, 2.5°C/min to 240°C. Carrier gas: Helium at 1 ml/min.	Retention index map: MS libraries:
Omega-3 products, BPX70 Samples are omega-3 products and reference mixtures. Data are acquired on an Agilent 5890/5972 GC-MS using the following chromatographic conditions: Column: BPX70 (SGE), L= 60 m, i.d. = 0.25 mm, film thickness = 0.25 μm. Temperature program: Injection at 60°C, isothermal for 4 min, 30°C/min to 160°C, 2°C/min to 260°C. Carrier gas: Helium at 26 cm/s. Further details about the data can be found in [Wasta & Mjøs, J. Chromatogr. A 1299 (2013) 94].	Retention index map: MS libraries:
Omega-3 products, BP20 Samples are omega-3 products and reference mixtures. Data are acquired on an Agilent 7890/5975 GC-MS using the following chromatographic conditions: Column: BP20 (SGE), L= 50 m, i.d. = 0.22 mm, film thickness = 0.25 μm. Temperature program: Injection at 60°C, isothermal for 4 min, 30°C/min to 160°C, 1.4°C/min to 260°C. Carrier gas: Helium at 30 cm/s. Further details about the data can be found in [Wasta & Mjøs, J. Chromatogr. A 1299 (2013) 94].	Retention index map: MS libraries:
Omega-3 products, SLB-IL61 Samples are omega-3 products and reference mixtures. Data are acquired on an Agilent 7890/5975 GC-MS using the following chromatographic conditions: Column: SLB-IL61 (Supelco), L= 30 m, i.d. = 0.25 mm, film thickness = 0.2 μm. Temperature program: Injection at 60°C, isothermal for 2 min, 30°C/min to 145°C, 2°C/min to 235°C. Carrier gas: Helium at 34 cm/s. Further details about the data can be found in [Lin, Wasta & Mjøs, J. Chromatogr. A 1350 (2014) 83].	Retention index map: MS libraries:
Omega-3 products, SLB-IL82 Samples are omega-3 products and reference mixtures. Data are acquired on an Agilent 7890/5975 GC-MS using the following chromatographic conditions: Column: SLB-IL82 (Supelco), L= 30 m, i.d. = 0.25 mm, film thickness = 0.2 μm. Temperature program: Injection at 60°C, isothermal for 2 min, 30°C/min to 145°C, 2°C/min to 230°C. Carrier gas: Helium at 34 cm/s. Further details about the data can be found in [Lin, Wasta & Mjøs, J. Chromatogr. A 1350 (2014) 83].	Retention index map: MS libraries:
Omega-3 products, SLB-IL100 Samples are omega-3 products and reference mixtures. Data are acquired on an Agilent 7890/5975 GC-MS using the following chromatographic conditions: Column: SLB-IL100 (Supelco), L= 30 m, i.d. = 0.25 mm, film thickness = 0.2 μm. Temperature program: Injection at 60°C, isothermal for 2 min, 30°C/min to 145°C, 2°C/min to 215°C. Carrier gas: Helium at 34 cm/s. Further details about the data can be found in [Lin, Wasta & Mjøs, J. Chromatogr. A 1350 (2014) 83].	Retention index map: MS libraries:
Human serum, BPX70 Samples are human serum and reference mixtures. Data are acquired on an Agilent 7890/5977 GC-MS using the following chromatographic conditions: Column: BPX70, L = 60 m, i.d. = 0.25 mm, film thickness = 0.25 μm (SGE). Temperature program: Injection at 60°C, isothermal for 4 min, 60°C/min to 162.9°C, 1.33°C/min to 260°C. Carrier gas: Helium at 1.0 ml/min (26 cm/s at 60°C, constant flow). Further details about the data can be found in [Lin, Sengee & Mjøs, J. Chromatogr. B 1138 (2020) 121963].	Retention index map: MS libraries:
Human serum, BP20 Samples are human serum and reference mixtures. Data are acquired on an Agilent 7890/5977 GC-MS using the following chromatographic conditions: Column: BP20, L = 50 m, i.d. = 0.22 mm, film thickness = 0.25 μm (SGE). Temperature program: Injection at 60°C, isothermal for 4 min, 60°C/min to 160°C, 1.4°C/min to 260°C. Carrier gas: Helium at 1.1 ml/min (60 cm/s at 60°C, constant flow). Further details about the data can be found in [Lin, Sengee & Mjøs, J. Chromatogr. B 1138 (2020) 121963].	Retention index map: MS libraries:

contact: chrombox@chrombox.org