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Amphetamine

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Phase change data

Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil476.2KN/AWeast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
12.8343.AStephenson and Malanowski, 1987Based on data from 333. - 353. K.; AC

Gas phase ion energetics data

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
8.99 ± 0.06PEDomelsmith and Houk, 1978Vertical value; LLK
8.91 ± 0.14PEDomelsmith, Munchausen, et al., 1977Vertical value; LLK

IR Spectrum

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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 Drug Lab
NIST MS number 335467

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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

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Column type Active phase Temperature (C) I Reference Comment
CapillaryBP-1130.1119.Japp, Gill, et al., 198725. m/0.22 mm/0.25 «mu»m, N2
CapillaryBP-1130.1122.Japp, Gill, et al., 198725. m/0.53 mm/1. «mu»m, N2
PackedSE-30140.1115.Musumarra, Scarlata, et al., 1987N2, 1% se-30 on Anachrom ABS(80-100mesh); Column length: 2. m
PackedOV-101120.1117.Huber, Kenndler, et al., 1979N2; Column length: 2. m
PackedApiezon L120.1132.Huber, Kenndler, et al., 1979 
PackedApiezon L120.1132.Donike and Stratmann, 1976Chromosorb W

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySE-301105.Schepers, Wijsbeek, et al., 198225. m/0.49 mm/1.14 «mu»m, 100. C @ 2. min, 8. K/min, 275. C @ 15. min

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

View large format table.

Column type Active phase I Reference Comment
PackedOV-1011130.McLinden and Stenhouse, 1979N2, Chromosorb W; Column length: 2. m; Program: not specified
PackedSE-301110.Moffat, Stead, et al., 1974Column length: 2. m; Program: not specified

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedPEG-20M120.1581.Huber, Kenndler, et al., 1979N2
PackedPEG-20M120.1581.Donike and Stratmann, 1976Chromosorb W

Kovats' RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
PackedCarbowax 20M1587.Moffat, Stead, et al., 1974Column length: 1. 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
CapillaryVF-5MS1136.2Tretyakov, 201430. m/0.25 mm/0.25 «mu»m, He; Tstart: 60. C; Tend: 270. C
CapillarySPB-11123.Christ, Noomano, et al., 198830. m/0.75 mm/1.0 «mu»m, He, 10. K/min, 280. C @ 12. min; Tstart: 160. C
PackedMethyl Silicone1108.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1110.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1100.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1105.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1105.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1100.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1100.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1105.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1120.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1110.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1110.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1110.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1110.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1112.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1112.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1115.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
PackedMethyl Silicone1117.Bogusz, Wijsbeek, et al., 1985120. C @ 4. min, 7. K/min, 290. C @ 10. min
CapillaryDB-11118.Perrigo, Peel, et al., 198515. m/0.32 mm/0.25 «mu»m, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C
CapillaryDB-11118.Perrigo, Ballantyne, et al., 198415. m/0.25 mm/0.25 «mu»m, He, 8. K/min, 280. C @ 5. min; Tstart: 120. C
CapillarySE-301111.Anderson and Stafford, 198315. m/0.25 mm/0.25 «mu»m, He, 5. K/min; Tstart: 100. C; Tend: 295. C
PackedSE-301120.Perrigo and Peel, 1981N2, 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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone1125.University Centre for Pharmacy, 200312.5 m/0.32 mm/1.5 «mu»m; Program: 135C(4min) => 13C/min => 200C => 8C/min => 240C => 6C/min => 312C (6min)

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedSE-301123.MHA, 9999Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C
CapillaryPolymethylsiloxane, (PMS-20000)1125.Gambaro, Saligari, et al., 199712. m/0.20 mm/0.33 «mu»m, He, 10. K/min; Tstart: 160. C; Tend: 300. C
CapillaryDB-11123.Yashiki, Kojima, et al., 199530. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 25. K/min, 250. C @ 5. min
CapillaryDB-51110.Phillips, Logan, et al., 199015. m/0.25 mm/0.2 «mu»m, He, 10. K/min; Tstart: 100. C; Tend: 150. C
PackedOV-11145.Marozzi, Gambaro, et al., 1982Gas Chrom P, 2.5 K/min; Column length: 2. m; Tstart: 120. C; Tend: 200. C
PackedSE-301120.Marozzi, Gambaro, et al., 1982Gas Chrom P, 2.5 K/min; Column length: 2. m; Tstart: 120. C; Tend: 200. C
PackedSE-301118.Peel and Perrigo, 1976Nitrogen, Chromosorb W AW DMS (80-100 mesh), 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 2. m
PackedSE-301118.Peel and Perrigo, 1975N2, 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

View large format table.

Column type Active phase I Reference Comment
Capillary5 % Phenyl methyl siloxane1129.Grigoriev and Savchuk, 201025. m/0.20 mm/0.33 «mu»m; Program: 50 0C (0.5 min) 99 0C/min -> 100 0C (1 min) 15 0C/min -> 280 0C (20 min)
Capillary5 % Phenyl methyl siloxane1135.Grigoriev and Savchuk, 201025. m/0.20 mm/0.33 «mu»m; Program: 50 0C (0.5 min) 99 0C/min -> 100 0C (1 min) 15 0C/min -> 280 0C (20 min)
CapillaryPolymethylsiloxane, (PMS-20000)1126.Gambaro, Saligari, et al., 199712. m/0.20 mm/0.33 «mu»m, He; Program: not specified
CapillaryPolydimethyl siloxanes1118.Zenkevich and Chupalov, 1996Program: not specified
OtherMethyl Silicone1123.Ardrey and Moffat, 1981Program: not specified

References

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, 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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Domelsmith and Houk, 1978
Domelsmith, L.N.; Houk, K.N., Photoelectron spectroscopic studies of hallucinogens: The use of ionization potentials in QSAR, NIDA Res. Monogr., 1978, 22, 423. [all data]

Domelsmith, Munchausen, et al., 1977
Domelsmith, L.N.; Munchausen, L.L.; Houk, K.N., Photoelectron spectra of psychotropic drugs. 1. Phenethylamines, tryptamines, and LSD, J. Am. Chem. Soc., 1977, 99, 4311. [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]

Huber, Kenndler, et al., 1979
Huber, J.F.K.; Kenndler, E.; Reich, G., Quantitation of the Information Content of Multi-Dimensional Gas Chromatography and Low- Resolution Mass Spectrometry in the Identification of Doping Drugs, J. Chromatogr., 1979, 172, 1, 15-30, https://doi.org/10.1016/S0021-9673(00)90941-5 . [all data]

Donike and Stratmann, 1976
Donike, M.; Stratmann, D., Gas-chromatographische identifizierung von stimulantien der phenyläthylaminreihe mit hilfe der retnetions-indices, Z. Anal. Chem., 1976, 279, 2, 129-131, https://doi.org/10.1007/BF00440798 . [all data]

Schepers, Wijsbeek, et al., 1982
Schepers, P.; Wijsbeek, J.; Franke, J.P.; de Zeeuw, R.A., Applicability of capillary gas chromatography to substance identification in toxicology by means of retention indices, J. Forensic Sci., 1982, 27, 1, 49-60. [all data]

McLinden and Stenhouse, 1979
McLinden, V.J.; Stenhouse, A.M., A chromatography system for drug identification, Forensic Sci. Int., 1979, 13, 71-79, https://doi.org/10.1016/0379-0738(79)90265-2 . [all data]

Moffat, Stead, et al., 1974
Moffat, A.C.; Stead, A.H.; Smalldon, K.W., Optimum use of paper, thin-layer and gas-liquid chromatography for the identification of basic drugs. III. Gas-liquid chromatography, J. Chromatogr., 1974, 90, 1, 19-33, https://doi.org/10.1016/S0021-9673(01)94770-3 . [all data]

Tretyakov, 2014
Tretyakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Christ, Noomano, et al., 1988
Christ, D.W.; Noomano, P.; Rosas, M.; Rhone, D., Retention indices by wide-bore capillary gas chromatography with nitrogen-phosphorus detection, J. Anal. Toxicol., 1988, 12, 2, 84-88, https://doi.org/10.1093/jat/12.2.84 . [all data]

Bogusz, Wijsbeek, et al., 1985
Bogusz, M.; Wijsbeek, J.; Franke, J.P.; de Zeeuw, R.A.; Gierz, J., Impact of biological matrix, drug concentration, and method of isolation on detectability and variability of retention index values in gas chromatography, J. Anal. Toxicol., 1985, 9, 2, 49-54, https://doi.org/10.1093/jat/9.2.49 . [all data]

Perrigo, Peel, et al., 1985
Perrigo, B.J.; Peel, H.W.; Ballantyne, D.J., Use of Dual-Column Fused-Silica Capillary Gas Chromatography in Combination with Detector Response Factors for Analytical Toxicology., J. Chromatogr., 1985, 341, 81-88, https://doi.org/10.1016/S0378-4347(00)84011-6 . [all data]

Perrigo, Ballantyne, et al., 1984
Perrigo, B.J.; Ballantyne, D.J.; Peel, H.W., Condierations in developing a data base for drugs on a DBI capillary column, J. Can. Soc. Forensic Sci., 1984, 17, 2, 41-49, https://doi.org/10.1080/00085030.1984.10757360 . [all data]

Anderson and Stafford, 1983
Anderson, W.H.; Stafford, D.T., Applications of capillary gas chromatography in routine toxicological analyses, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 5, 247-254, https://doi.org/10.1002/jhrc.1240060506 . [all data]

Perrigo and Peel, 1981
Perrigo, B.J.; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Sci., 1981, 19, 5, 219-226, https://doi.org/10.1093/chromsci/19.5.219 . [all data]

University Centre for Pharmacy, 2003
University Centre for Pharmacy, University of Groninger, Systematic toxicological analysis, 2003, retrieved from http://www.farm.rug.nl/InterACT/wijopnet.html. [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

Gambaro, Saligari, et al., 1997
Gambaro, V.; Saligari, E.; Froldi, R.; Bianchi, L., Analysis of street drugs by means of HRGC, Bollettino Chimico Farmaceutica, 1997, 36, 4, 359-367. [all data]

Yashiki, Kojima, et al., 1995
Yashiki, M.; Kojima, T.; Miyazaki, T.; Nagasawa, N.; Iwasaki, Y.; Hara, K., Detection of amphetamines in urine using head space-solid phase microextraction and chemical ionization selected ion monitoring, Forensic Sci. Int., 1995, 76, 3, 169-177, https://doi.org/10.1016/0379-0738(95)01819-0 . [all data]

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]

Marozzi, Gambaro, et al., 1982
Marozzi, E.; Gambaro, V.; Saligari, E.; Mariani, R.; Lodi, F., Use of the retention index in gas chromatographic studies of drugs, J. Anal. Toxicol., 1982, 6, 4, 185-192, https://doi.org/10.1093/jat/6.4.185 . [all data]

Peel and Perrigo, 1976
Peel, H.W.; Perrigo, B., A practical gas chromatographic screening procedure for toxicological analysis, Can. Soc. Forens. Sci. J., 1976, 9, 2, 69-74, https://doi.org/10.1080/00085030.1976.10757247 . [all data]

Peel and Perrigo, 1975
Peel, H.W.; Perrigo, B., A practical gas chromatographic screening procedure for toxicological analysis, Can.Soc.Forens.Sci.J., 1975, 9, 2, 69-74, https://doi.org/10.1080/00085030.1976.10757247 . [all data]

Grigoriev and Savchuk, 2010
Grigoriev, A.M.; Savchuk, S.A., Correlation of the parameters of screening libraries of the gas-chromatographic retention data, Rus. J. Anal. Chem. (Engl. Transl.), 2010, 65, 4, 388-397. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]


Notes

Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References