2,6-Lutidine
- Formula: C7H9N
- Molecular weight: 107.1531
- IUPAC Standard InChIKey: OISVCGZHLKNMSJ-UHFFFAOYSA-N
- CAS Registry Number: 108-48-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Pyridine, 2,6-dimethyl-; α,α'-Dimethylpyridine; α,α'-Lutidine; 2,6-Dimethylpyridine; 2,6-Dimethypyridine; α,α'-Lutidin; NSC 2155
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW- 652 |
NIST MS number | 227861 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | C78, Branched paraffin | 130. | 872.0 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Packed | C78, Branched paraffin | 130. | 870.1 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Packed | Apolane | 130. | 874. | Dutoit, 1991 | Column length: 3.7 m |
Capillary | SE-30 | 110. | 869. | Samusenko and Golovnya, 1988 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 80. | 866. | Samusenko and Golovnya, 1988 | 25. m/0.32 mm/1. μm, He |
Capillary | OV-101 | 150. | 876. | Morishita, Morimoto, et al., 1986 | N2; Column length: 20. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 80. | 866. | Samusenko, Svetlova, et al., 1986 | 25. m/0.25 mm/0.156 μm, He |
Capillary | OV-101 | 80. | 866. | Samusenko, Svetlova, et al., 1986 | 35. m/0.25 mm/0.125 μm, He |
Capillary | OV-101 | 80. | 866. | Samusenko, Svetlova, et al., 1986 | 35. m/0.25 mm/0.125 μm, He |
Capillary | OV-101 | 80. | 866. | Samusenko, Svetlova, et al., 1986 | 35. m/0.25 mm/0.125 μm, He |
Capillary | OV-101 | 80. | 868. | Samusenko, Svetlova, et al., 1986 | 50. m/0.25 mm/0.125 μm, He |
Packed | Apiezon L | 130. | 903. | Shatts, Avots, et al., 1977 | He, Chromosorb W AW-DMCS; Column length: 2.4 m |
Packed | Apolane | 70. | 863.8 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Packed | Apiezon L | 100. | 880. | Zhuravleva, Kapustin, et al., 1976 | N2 or He, Chromosorb G, AW; Column length: 2.7 m |
Packed | PMS-100 | 130. | 868. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PMS-100 | 150. | 852. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PMS-100 | 180. | 850. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-40M | 110. | 1253. | Golovnya, Samusenko, et al., 1987 | He; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | PEG-40M | 80. | 1243. | Golovnya, Samusenko, et al., 1987 | He; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | PEG-20M | 150. | 1288. | Morishita, Morimoto, et al., 1986 | N2; Column length: 20. m; Column diameter: 0.23 mm |
Packed | PEG-2000 | 150. | 1285. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 152. | 1280. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 179. | 1300. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 180. | 1282. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 1271. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Petro | 865.8 | Lu, Zhao, et al., 2004 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 220. C |
Capillary | SE-54 | 884.95 | Yin, Xiu, et al., 2001 | 35. C @ 3. min, 4. K/min, 230. C @ 10. min; Column length: 25. m; Column diameter: 0.31 mm |
Capillary | OV-1 | 859.2 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | OV-101 | 870. | Golovnya, Samusenko, et al., 1988 | He, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 100. C |
Capillary | OV-101 | 870. | Golovnya, Samusenko, et al., 1988 | He, 8. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C |
Capillary | OV-101 | 870. | Golovnya, Samusenko, et al., 1988 | He, 4. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C |
Capillary | DB-5 | 884. | Premecz and Ford, 1987 | He, 60. C @ 10. min, 10. K/min, 280. C @ 3. min; Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-5 | 874. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 890. | Varlet, Serot, et al., 2007 | 30. m/0.32 mm/0.5 μm, He; Program: 70C => 5C/min => 85C(1min) => 3C/min => 165C => 10C/min => 280C(3min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1276. | Le Guen, Prost, et al., 2000 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min |
Capillary | DB-Wax | 1266. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | PEG-40M | 1257. | Golovnya, Samusenko, et al., 1988 | 25. m/0.32 mm/0.80 μm, He, 2. K/min; Tstart: 100. C |
Capillary | PEG-40M | 1258. | Golovnya, Samusenko, et al., 1988 | 25. m/0.32 mm/0.80 μm, He, 8. K/min; Tstart: 70. C |
Capillary | PEG-40M | 1255. | Golovnya, Samusenko, et al., 1988 | 25. m/0.32 mm/0.80 μm, He, 4. K/min; Tstart: 80. C |
Capillary | CAM | 1243. | Premecz and Ford, 1987 | He, 60. C @ 5. min, 5. K/min, 240. C @ 21. min; Column length: 15. m; Column diameter: 0.24 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 887.2 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | SE-30 | 868.3 | Bur'yan and Nabivach, 1992 | 1.7 K/min; Tstart: 82. C; Tend: 177. C |
Capillary | DB-1 | 844. | Ishihara, Tsuneya, et al., 1992 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C |
Capillary | DB-1 | 846. | Ishihara, Tsuneya, et al., 1992 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C |
Capillary | DB-1 | 857. | Flath, Matsumoto, et al., 1989 | 60. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 857. | Flath, Matsumoto, et al., 1989 | 60. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 882. | Li, Gao, et al., 2000 | Program: not specified |
Capillary | SPB-1 | 869. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | SPB-1 | 869. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1241. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax | 1243. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1245. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1245. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1245. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1245. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1246. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1246. | Baltes and Bochmann, 1987 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 136.27 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E.,
Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups,
J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0
. [all data]
Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz.,
Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups,
J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S
. [all data]
Dutoit, 1991
Dutoit, J.,
Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases,
J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X
. [all data]
Samusenko and Golovnya, 1988
Samusenko, A.L.; Golovnya, R.V.,
Prediction of the retention indices of methyl pyridines and pyrazines in capillary gas chromatography based on the non-linear additivity of the sorption energy,
Chromatographia, 1988, 25, 6, 531-535, https://doi.org/10.1007/BF02324828
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Morishita, Morimoto, et al., 1986
Morishita, F.; Morimoto, S.; Kojima, T.,
Prediction of molecular structures of aza-arenes by retention indices and fluorescence spectra,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 11, 688-692, https://doi.org/10.1002/jhrc.1240091120
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Samusenko, Svetlova, et al., 1986
Samusenko, A.L.; Svetlova, N.I.; Golovnya, R.V.,
Reproducible and durable glass capillary columns with hydrogenated apiezon-l and OV-101 for the analysis of polar substances,
Zh. Anal. Khim., 1986, 61, 1, 127-133. [all data]
Shatts, Avots, et al., 1977
Shatts, V.D.; Avots, A.A.; Belikov, V.A.,
Retention indices of alkylpyridines,
Zh. Anal. Khim., 1977, 32, 4, 631-638. [all data]
Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz.,
A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography,
J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2
. [all data]
Zhuravleva, Kapustin, et al., 1976
Zhuravleva, I.L.; Kapustin, Yu.P.; Golovnya, P.B.,
Retention indices of some isoaliphatic and heterocyclic nitrogenous bases,
Zh. Anal. Khim., 1976, 31, 1378-1380. [all data]
Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L.,
Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases,
Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]
Golovnya, Samusenko, et al., 1987
Golovnya, R.V.; Samusenko, A.L.; Dmitriev, L.B.,
Predicting retention indices of methyl-substituted pyridines in gas capillary chromatogrpahy on the basis of the principle of the nonadditive change in the energy of sorption,
Izv. Akad. Nauk SSSR Ser. Khim., 1987, 10, 2234-2239. [all data]
Lu, Zhao, et al., 2004
Lu, X.; Zhao, M.; Kong, H.; Cai, J.; Wu, J.; Wu, M.; Hua, R.; Liu, J.; Xu, G.,
Characterization of cigarette smoke condensates by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry (GC x GC/TOFMS) Part 2: Basic fraction,
J. Sep. Sci., 2004, 27, 1-2, 101-109, https://doi.org/10.1002/jssc.200301659
. [all data]
Yin, Xiu, et al., 2001
Yin, W.; Xiu, Z.; Aijin, H.,
Analysis of the volatile components in trogopterorum feces by capillary gas chromatography and gas chromatography/mass spectrometry,
Fenxi Huaxue, 2001, 29, 2, 195-198. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Golovnya, Samusenko, et al., 1988
Golovnya, R.V.; Samusenko, A.L.; Lyapin, V.A.,
Prediction of linear temperature programmed retention indices of methylpyridines in capillary gas chromatography,
Zh. Anal. Khim., 1988, 63, 2, 311-317. [all data]
Premecz and Ford, 1987
Premecz, J.E.; Ford, M.E.,
Gas chromatographic separation of substituted pyridines,
J. Chromatogr., 1987, 388, 23-35, https://doi.org/10.1016/S0021-9673(01)94463-2
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
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Varlet, Serot, et al., 2007
Varlet, V.; Serot, T.; Cardinal, M.; Knockaert, C.; Prost, C.,
Olfactometric Determination of the Most Potent Odor-Active Compounds in Salmon Muscle (Salmo salar) Smoked by Using Four Smoke Generation Techniques,
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Le Guen, Prost, et al., 2000
Le Guen, S.; Prost, C.; Demaimay, M.,
Characterization of odorant compounds of mussels (Mytilus edulis) according to their origin using gas chromatography-olfactometry and gas chromatography-mass spectrometry,
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Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y.,
Headspace gas analysis of fish sauce,
J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Bur'yan and Nabivach, 1992
Bur'yan, P.; Nabivach, V.M.,
Investigation of composition of higher heterocnitrogen bases of brown coal tar,
Coke Chem. (Engl. Transl.), 1992, 5, 29-33. [all data]
Ishihara, Tsuneya, et al., 1992
Ishihara, M.; Tsuneya, T.; Shiga, M.; Kawashima, S.; Yamagishi, K.; Yoshida, F.; Sato, H.; Uneyama, K.,
New pyridine derivatives and basic components in spearmint oil (Mentha gentilis f. cardiaca) and peppermint oil (Mentha piperita),
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. [all data]
Flath, Matsumoto, et al., 1989
Flath, R.A.; Matsumoto, K.E.; Binder, R.G.; Cunningham, R.T.; Mon, T.R.,
Effect of pH on the volatiles of hydrolyzed protein insect baits,
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Li, Gao, et al., 2000
Li, R.; Gao, S.-G.; Xiang, B.-R.,
Using improved BP neural network in predicting GC retention indices,
Computers appl. chem. (Chinese), 2000, 17, 1-2, 113-114. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
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Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Baltes and Bochmann, 1987
Baltes, W.; Bochmann, G.,
Model reactions on roast aroma formations, V. Mass spectrometric identification of pyrifines, oxazoles, and carbocyclic compounds from the reaction of serine and threonine with sucrose under the conditions of coffee roasting,
Z. Lebensm. Unters. Forsch., 1987, 185, 1, 5-9, https://doi.org/10.1007/BF01083331
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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