Caffeine

Formula: C₈H₁₀N₄O₂
Molecular weight: 194.1906
IUPAC Standard InChI: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
IUPAC Standard InChIKey: RYYVLZVUVIJVGH-UHFFFAOYSA-N
CAS Registry Number: 58-08-2
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: 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-; Alert-Pep; Cafeina; Caffein; Caffine; Cafipel; Coffeine; Guaranine; Koffein; Mateina; Methyltheobromine; No-Doz; Refresh'n; Stim; Thein; Theine; 1,3,7-Trimethyl-2,6-dioxopurine; 1,3,7-Trimethylxanthine; Cafamil; Cafecon; Caffeine, synthetic; Eldiatric C; Nix Nap; Nodaca; NCI-C02733; Theobromine, 1-methyl-; Theophylline, 7-methyl; Xanthine, 1,3,7-trimethyl; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; Coffein; Kofein; Organex; Monomethyl derivative of Theophylline; Theobromine Me; Theophylline Me; Caffedrine; Hycomine; NSC 5036; Tri-Aqua; Wigraine; 7-Methylxanthine, N,N'-dimethyl-; 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione; A.S.A. and Codeine Compound; Anacin; Anacin Maximum Strength; Bayer Select Headache Pain; Cafergot; DHCplus; Dasin; Fiorinal; Hycomine Compound; Midol Maximum Strength; Norgesic; P-A-C Analgesic Tablets; Phensal; Propoxyphene Compound 65; SK-65 Compound; Synalgos; Synalgos-DC; Vanquish; component of A.S.A. Compound; component of Ansemco 2; component of Dilone; component of Midol; component of P-A-C Compound; component of Percodan; 71701-02-5; 95789-13-2; A.S.A. and Codeine Compound (Salt/Mix); Anacin (Salt/Mix); Anacin Maximum Strength (Salt/Mix); Bayer Select Headache Pain (Salt/Mix); Cafergot (Salt/Mix); DHCplus (Salt/Mix); Dasin (Salt/Mix); Fiorinal (Salt/Mix); Hycomine Compound (Salt/Mix); Midol Maximum Strength (Salt/Mix); Norgesic (Salt/Mix); P-A-C Analgesic Tablets (Salt/Mix); Phensal (Salt/Mix); Propoxyphene Compound 65 (Salt/Mix); SK-65 Compound (Salt/Mix); Synalgos (Salt/Mix); Synalgos-DC (Salt/Mix); Vanquish (Salt/Mix); component of A.S.A. Compound (Salt/Mix); component of Ansemco 2 (Salt/Mix); component of Dilone (Salt/Mix); component of Midol (Salt/Mix); component of P-A-C Compound (Salt/Mix); component of Percodan (Salt/Mix)
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Gas Chromatography

Go To: Top, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-5	220.	1840.	Phillips, Logan, et al., 1990	15. m/0.25 mm/0.2 μm, He
Capillary	BP-1	200.	1797.	Japp, Gill, et al., 1987	25. m/0.22 mm/0.25 μm, N2
Capillary	BP-1	200.	1803.	Japp, Gill, et al., 1987	25. m/0.53 mm/1. μm, N2
Packed	SE-30	180.	1809.	Musumarra, Scarlata, et al., 1987	N2, 1% se-30 on Anachrom ABS(80-100mesh); Column length: 2. m
Packed	SE-30	210.	1824.	Lenchik, Rudenko, et al., 1986	N2, Inerton N AW (1), NaCl (2), and steel powder (3); Column length: 1. m
Packed	SE-30	210.	1832.	Lenchik, Rudenko, et al., 1986	N2, Inerton N AW (1), NaCl (2), and steel powder (3); Column length: 1. m
Capillary	SPB-1	250.	1840.	Lora-Tamayo, Rams, et al., 1986	He; Column length: 25. m; Column diameter: 0.20 mm
Packed	OV-1	250.	1818.	Machata and Vycudilik, 1980	N2, Chromosorb G
Packed	OV-1	200.	1800.	Berninger and Möller, 1977
Packed	OV-101	200.	1800.	Möller, 1976	N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m
Packed	OV-101	200.	1805.	Möller, 1976	N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m
Packed	OV-101	200.	1810.	Möller, 1976	N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m
Packed	OV-101	190.	1796.	Möller, 1976	N2, Chromosorb W; Column length: 2. m
Packed	OV-101	230.	1833.	Möller, 1976	N2, Chromosorb W; Column length: 2. m

Kovats' RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-1	1820.	Bickeboeller-Friedrich and Maurer, 2001	12. m/0.2 mm/0.33 μm, He, 100. C @ 3. min, 30. K/min, 310. C @ 8. min
Capillary	SE-30	1796.	Schepers, Wijsbeek, et al., 1982	12. m/0.22 mm/0.45 μm, He, 120. C @ 2. min, 8. K/min, 300. C @ 12. min
Capillary	SE-30	1780.	Schepers, Wijsbeek, et al., 1982	25. m/0.49 mm/1.14 μm, 100. C @ 2. min, 8. K/min, 275. C @ 15. min
Capillary	OV-101	1800.	Yamaguchi and Shibamoto, 1981	N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	1802.	Yamaguchi and Shibamoto, 1981	N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C

Kovats' RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Packed	OV-101	1830.	McLinden and Stenhouse, 1979	N2, Chromosorb W; Column length: 2. m; Program: not specified
Packed	OV-1	1800.	Berninger, Grunnagel, et al., 1975	N2, Chromosorb G, AW-DMCS; Column length: 2. m; Program: not specified
Packed	OV-1	1800.	Berninger, Grunnagel, et al., 1975	N2, Chromosorb G, AW-DMCS; Column length: 2. m; Program: not specified
Packed	SE-30	1810.	Moffat, Stead, et al., 1974	Column length: 2. m; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1760.	Johnson, Urso, et al., 1997	30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min
Capillary	SPB-1	1811.	Christ, Noomano, et al., 1988	30. m/0.75 mm/1.0 μm, He, 10. K/min, 280. C @ 12. min; T_start: 160. C
Capillary	CBP-1	1769.	Oyama, Sano, et al., 1987	N2, 6. K/min; Column length: 12. m; Column diameter: 0.53 mm; T_start: 120. C; T_end: 250. C
Packed	Methyl Silicone	1830.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1835.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1796.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1805.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1813.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1813.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1815.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1815.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1807.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1813.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1813.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1815.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1815.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1818.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1830.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1798.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1800.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1802.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1805.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1805.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1805.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1810.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Packed	Methyl Silicone	1850.	Bogusz, Wijsbeek, et al., 1985	120. C @ 4. min, 7. K/min, 290. C @ 10. min
Capillary	DB-1	1768.	Perrigo, Peel, et al., 1985	15. m/0.32 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; T_start: 120. C
Capillary	Methyl Silicone	1764.0	Newton and Foery, 1984	12. m/0.2 mm/0.33 μm, He, 50. C @ 1. min, 20. K/min, 300. C @ 3. min
Capillary	5 % Phenyl methyl siloxane	1848.0	Newton and Foery, 1984	12. m/0.2 mm/0.33 μm, He, 50. C @ 1. min, 20. K/min, 300. C @ 3. min
Capillary	DB-1	1768.	Perrigo, Ballantyne, et al., 1984	15. m/0.25 mm/0.25 μm, He, 8. K/min, 280. C @ 5. min; T_start: 120. C
Capillary	DB-1	1775.	Perrigo, Ballantyne, et al., 1984	15. m/0.25 mm/0.25 μm, He, 12. K/min, 280. C @ 5. min; T_start: 120. C
Capillary	DB-1	1778.	Perrigo, Ballantyne, et al., 1984	15. m/0.25 mm/0.25 μm, He, 15. K/min, 280. C @ 5. min; T_start: 120. C
Capillary	DB-1	1761.	Perrigo, Ballantyne, et al., 1984	15. m/0.25 mm/0.25 μm, He, 5. K/min, 280. C @ 5. min; T_start: 120. C
Packed	SE-30	1800.	Perrigo and Peel, 1981	N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m

Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	OV-101	1768.	Yasuhara, Shiraishi, et al., 1997	15. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
Capillary	5 % Phenyl methyl siloxane	1838.	Yasuhara, Shiraishi, et al., 1997	25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
Capillary	CP Sil 5 CB	1809.	Aderjan and Bogusz, 1988	10. m/0.53 mm/5.0 μm, He; Program: 100 0C (2 min ) 15 0C/min -> 200 0C 10 0C/min -> 300 0C (8 min hold)
Capillary	BP-1	1775.	Stowell and Wilson, 1987	12. m/0.22 mm/0.25 μm, He; Program: 120C => 8C/min => 270C => 25C/min => 300C

Normal alkane RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	OV-101	180.	1789.	Dubsky, Hána, et al., 1978	Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m
Packed	OV-101	200.	1800.	Dubsky, Hána, et al., 1978	Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m
Packed	OV-101	200.	1806.	Dubsky, Hána, et al., 1978	Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m
Packed	OV-101	200.	1810.	Möller, 1976	N2, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Packed	Polydimethyl siloxane	1810.	MHA, 9999	Nitrogen; Column length: 2. m; T_start: 100. C; T_end: 300. C
Packed	SE-30	1810.	MHA, 9999	Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; T_start: 100. C; T_end: 300. C
Capillary	OV-1	1789.	Da Costa, Yang, et al., 2010	50. m/0.32 mm/0.50 μm, 2. K/min, 270. C @ 10. min; T_start: 40. C
Capillary	Ultra-1	1772.	Du, Clery, et al., 2008	50. m/0.20 mm/0.33 μm, Helium, 2. K/min, 280. C @ 20. min; T_start: 50. C
Capillary	SLB-5MS	1836.	Risticevic, Carasek, et al., 2008	10. m/0.18 mm/0.18 μm, Helium, 40. C @ 1.5 min, 10. K/min; T_end: 295. C
Capillary	HP-5 MS	1842.	Christov and Evstatieva, 2003	30. m/0.25 mm/0.25 μm, Helium, 100. C @ 2. min, 5. K/min, 280. C @ 20. min
Capillary	Polymethylsiloxane, (PMS-20000)	1800.	Gambaro, Saligari, et al., 1997	12. m/0.20 mm/0.33 μm, He, 10. K/min; T_start: 160. C; T_end: 300. C
Capillary	DB-1	1774.	Sharp, 1987	15. m/0.25 mm/0.25 μm, He, 130. C @ 1. min, 10. K/min, 290. C @ 10. min
Capillary	BP-1	1779.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 12. K/min; T_start: 120. C; T_end: 270. C
Capillary	BP-1	1784.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 15. K/min; T_start: 120. C; T_end: 270. C
Capillary	BP-1	1800.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 25. K/min; T_start: 120. C; T_end: 270. C
Capillary	BP-1	1776.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 6. K/min; T_start: 120. C; T_end: 270. C
Capillary	BP-1	1775.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 8. K/min; T_start: 120. C; T_end: 270. C
Capillary	BP-1	1768.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 8. K/min; T_start: 120. C; T_end: 280. C
Capillary	BP-1	1764.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He, 20. K/min; T_start: 50. C; T_end: 300. C
Packed	SE-30	1815.	Marozzi, Gambaro, et al., 1982	Gas Chrom P, 2.5 K/min; Column length: 2. m; T_start: 120. C; T_end: 200. C
Capillary	OV-101	1797.	Pinkston, Spiteller, et al., 1981	H2, 80. C @ 7. min, 2. K/min; Column length: 30. m; Column diameter: 0.3 mm; T_end: 275. C
Capillary	OV-101	1797.	Spiteller and Spiteller, 1979	He, 75. C @ 7. min, 2. K/min; Column length: 25. m; T_end: 280. C
Packed	SE-30	1790.	Peel and Perrigo, 1976	Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m
Packed	SE-30	1790.	Peel and Perrigo, 1975	N2, Chromosorb W AW DMS, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	SLB-5 MS	1841.	Mondello, 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	SLB-5MS	1837.	Risticevic, Carasek, et al., 2008	10. m/0.18 mm/0.18 μm, Helium; Program: not specified
Capillary	Polymethylsiloxane, (PMS-20000)	1760.	Gambaro, Saligari, et al., 1997	12. m/0.20 mm/0.33 μm, He; Program: not specified
Capillary	Polymethylsiloxane, (PMS-20000)	1771.	Gambaro, Saligari, et al., 1997	12. m/0.20 mm/0.33 μm, He; Program: not specified
Capillary	CP Sil 5 CB	1820.	Bogusz, Bialka, et al., 1986	10. m/0.53 mm/5.2 μm; Program: 100 0C (2 min) 20 0C/min -> 180 0C 7.5 0C/min -> 280 0C (6 min)
Capillary	CP Sil 5 CB	1810.	Bogusz, Bialka, et al., 1986	10. m/0.53 mm/5.2 μm; Program: not specified
Capillary	BP-1	1775.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He; Program: 120 0X 8 0C/min -> 270 0C 25 0C/min -> 300 0C (5 min)
Capillary	BP-1	1810.	Stowell and Wilson, 1985	12. m/0.22 mm/0.25 μm, He; Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	1776.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	1777.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Other	Methyl Silicone	1810.	Ardrey and Moffat, 1981	Program: not specified
Packed	OV-101	1801.	Dubsky, Hána, et al., 1978	Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m; Program: not specified
Packed	OV-101	1810.	Dubsky, Hána, et al., 1978	Nitrogen, Chromosorb G (100-120 mesh); Column length: 2. m; Program: not specified

Lee's RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	306.6	Johnson, Urso, et al., 1997	30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min

References

Go To: Top, Gas Chromatography, Notes

Phillips, Logan, et al., 1990
Phillips, A.M.; Logan, B.K.; Stafford, D.T., Further applications for capillary gas chromatography in routine quantitative toxicological analyses, J. Hi. Res. Chromatogr., 1990, 13, 11, 754-758, https://doi.org/10.1002/jhrc.1240131106 . [all data]

Japp, Gill, et al., 1987
Japp, M.; Gill, R.; Osselton, M.D., Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columns, J. Forensic Sci., 1987, 32, 6, 1574-1586. [all data]

Musumarra, Scarlata, et al., 1987
Musumarra, G.; Scarlata, G.; Romano, G.; Cappello, G.; Clementi, S.; Giulietti, G., Qualitative organic analysis. Part 2. Identification of drugs by principal components analysis of standardized TLC data in four eluent systems and of retention indices on SE 30, J. Anal. Toxicol., 1987, 11, 4, 154-163, https://doi.org/10.1093/jat/11.4.154 . [all data]

Lenchik, Rudenko, et al., 1986
Lenchik, N.V.; Rudenko, B.A.; Dzhabarov, D.N., Gas chromatographic analysis of nitrogen-containing pharmaceticals using a thermoaerosol detector and non-porous sorbents, Zh. Anal. Khim., 1986, 1438-1443. [all data]

Lora-Tamayo, Rams, et al., 1986
Lora-Tamayo, C.; Rams, M.A.; Chacon, J.M.R., Gas Chromatographic Data for 187 Nitrogen- or Phosphorus-Containing Drugs and Metabolites of Toxicological Interest Analysed on Methyl Silicone Capillary Columns, J. Chromatogr., 1986, 374, 73-85, https://doi.org/10.1016/S0378-4347(00)83254-5 . [all data]

Machata and Vycudilik, 1980
Machata, G.; Vycudilik, W., Gas chromatographic analysis of illicit heroin samples, J. Anal. Toxicol., 1980, 4, 6, 318-321, https://doi.org/10.1093/jat/4.6.318 . [all data]

Berninger and Möller, 1977
Berninger, H.; Möller, M.R., Retentionsindices zur gaschromatographischen Identifizierung von Arzneimitteln, Arch. Toxicol., 1977, 37, 4, 295-305, https://doi.org/10.1007/BF00330821 . [all data]

Möller, 1976
Möller, M.R., Comparability of retention indices of polar substances at elevated temperatures, Chromatographia, 1976, 9, 7, 311-314, https://doi.org/10.1007/BF02268832 . [all data]

Bickeboeller-Friedrich and Maurer, 2001
Bickeboeller-Friedrich, J.; Maurer, H.H., Screening for detection of new antidepressants, neuroleptics, hypnotics, and their metabolites in urine by GC-MS developed using rat liver microsomes, Ther. Drug Monit., 2001, 23, 1, 61-70, https://doi.org/10.1097/00007691-200102000-00012 . [all data]

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Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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