Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Indole, 3-methyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tfus368.25KN/ACowley and Partington, 1936Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Deltasub21.6 ± 0.45kcal/molCRibeiro da Silva, Cabral, et al., 2009AC

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference Comment
538.70.993Weast and Grasselli, 1989BS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
15.4383.AStephenson and Malanowski, 1987Based on data from 368. - 540. K. See also Stull, 1947.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
368. - 539.45.426202685.55-44.739Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
19.9303.AStephenson and Malanowski, 1987Based on data from 288. - 333. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)7.514 ± 0.001eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
7.5143 ± 0.0006LSHager and Wallace, 1988LL
7.54 ± 0.015PEGusten, Klasinc, et al., 1976LLK

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

IR spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

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

Additional Data

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

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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 Sadtler Research Labs Under US-EPA Contract
State gas

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

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

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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-8854
NIST MS number 228764

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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedSE-30170.1388.Tibor and Anna, 1971N2, Chromosorb W-AW; Column length: 2. m
PackedSE-30190.1402.Tibor and Anna, 1971N2, Chromosorb W-AW; Column length: 2. m

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

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-51410.Engel and Ratel, 200760. m/0.32 mm/1. «mu»m, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryDB-5MS1380.Lozano P.R., Drake M., et al., 200730. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 10. K/min, 225. C @ 25. min
CapillarySE-541410.Schlutt B., Moran N., et al., 2007He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryDB-51381.Alves, Pinto, et al., 200530. m/0.25 mm/0.25 «mu»m, H2, 5. K/min, 270. C @ 20. min; Tstart: 35. C
CapillaryDB-51389.Colahan-Sederstrom and Peterson, 200530. m/0.25 mm/0.25 «mu»m, N2, 30. C @ 2. min, 3. K/min, 250. C @ 2. min
CapillaryDB-5MS1399.Whetstine, Cadwallader, et al., 200530. m/0.25 mm/0.25 «mu»m, 40. C @ 3. min, 10. K/min, 200. C @ 20. min
CapillaryDB-51391.Mahajan, Goddik, et al., 200430. m/0.32 mm/1. «mu»m, He, 40. C @ 4. min, 5. K/min, 230. C @ 10. min
CapillaryDB-5MS1396.Karagül-Yüceer, Vlahovich, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-51383.Peterson and Reineccius, 200330. m/0.25 mm/0.25 «mu»m, 35. C @ 2. min, 4. K/min, 250. C @ 4. min
CapillaryDB-51383.Peterson and Reineccius, 2003, 230. m/0.25 mm/0.25 «mu»m, 35. C @ 2. min, 4. K/min, 250. C @ 4. min
CapillaryDB-51391.Karagül-Yüceer, Cadwallader, et al., 200230. m/0.32 mm/0.25 «mu»m, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-51395.Karagül-Yüceer, Drake, et al., 200130. m/0.32 mm/0.25 «mu»m, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-5MS1401.Lee, Suriyaphan, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min
CapillaryDB-51390.Moio L., Rillo L., et al., 199630. m/0.32 mm/1. «mu»m, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryDB-51391.Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5MS1388.Kim, Lee, et al., 200330. m/0.25 mm/0.25 «mu»m, He; Program: 40C(5min) => 4C/min => 160C => 8C/min => 240C (15min)
CapillaryDB-51394.Jezussek, Juliano, et al., 200230. m/0.32 mm/0.25 «mu»m, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C
CapillaryDB-51398.Zehentbauer and Reineccius, 200230. m/0.25 mm/0.25 «mu»m, He; Program: 35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C
CapillarySE-541396.Zimmermann and Schieberle, 200030. m/0.25 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min)
CapillaryDB-5MS1400.Milo and Reineccius, 199730. m/0.25 mm/0.5 «mu»m; Program: 40C(2min) => 6C/min => 180C => 10C/min => 250C
Capillary5 % Phenyl methyl siloxane1381.Yasuhara, Shiraishi, et al., 199725. m/0.31 mm/0.52 «mu»m, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryFFAP2452.Lozano P.R., Drake M., et al., 200730. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 10. K/min, 225. C @ 25. min
CapillaryFFAP2516.Lozano P.R., Miracle E.R., et al., 200730. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 10. K/min, 225. C @ 25. min
CapillaryFFAP2520.Schlutt B., Moran N., et al., 2007He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 30. m; Column diameter: 0.32 mm
CapillaryDB-FFAP2504.Colahan-Sederstrom and Peterson, 200530. m/0.25 mm/0.25 «mu»m, N2, 30. C @ 2. min, 3. K/min, 250. C @ 2. min
CapillaryDB-Wax2489.Avsar, Karagul-Yuceer, et al., 200430. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 10. K/min, 200. C @ 15. min
CapillaryDB-Wax2489.Avsar, Karagul-Yuceer, et al., 200430. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 10. K/min, 200. C @ 15. min
CapillaryDB-FFAP2481.Avsar, Karagul-Yuceer, et al., 200415. m/0.32 mm/0.25 «mu»m, He, 35. C @ 5. min, 10. K/min, 225. C @ 15. min
CapillaryDB-Wax2486.Mahajan, Goddik, et al., 200430. m/0.25 mm/0.5 «mu»m, He, 40. C @ 2. min, 5. K/min, 230. C @ 10. min
CapillaryDB-FFAP2489.Karagül-Yüceer, Vlahovich, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-Wax2496.Peterson and Reineccius, 200330. m/0.25 mm/0.25 «mu»m, 35. C @ 2. min, 6. K/min, 240. C @ 6. min
CapillaryDB-Wax2468.Karagül-Yüceer, Cadwallader, et al., 200230. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-Wax2477.Karagül-Yüceer, Drake, et al., 200130. m/0.25 mm/0.25 «mu»m, 35. C @ 5. min, 10. K/min, 200. C @ 30. min
CapillaryDB-Wax2505.Lee, Suriyaphan, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillarySupelcowax-102492.Chung, 199960. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryFFAP2503.Frauendorfer and Schieberle, 200625. m/0.32 mm/0.2 «mu»m, He; Program: 40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C
CapillaryFFAP2504.Jezussek, Juliano, et al., 200230. m/0.25 mm/0.25 «mu»m, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C
CapillaryDB-FFAP2514.Munk, Johansen, et al., 200130. m/0.32 mm/0.25 «mu»m; Program: 40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C(5min)
CapillaryFFAP2523.Zimmermann and Schieberle, 200030. m/0.25 mm/0.25 «mu»m, He; Program: 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min)
CapillaryFFAP2489.Yasuhara, 198750. m/0.25 mm/0.25 «mu»m, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1382.Fanaro, Duarte, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 0.5 min, 5. K/min, 250. C @ 0.5 min
CapillaryZB-51396.Harrison and Priest, 200930. m/0.25 mm/0.25 «mu»m, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min
CapillaryDB-51399.Mallia, Escher, et al., 200960. m/0.32 mm/0.25 «mu»m, Helium, 6. K/min, 240. C @ 5. min
CapillaryHP-11351.Breme, Langle, et al., 200850. m/0.20 mm/0.33 «mu»m, Helium, 2. K/min, 250. C @ 20. min; Tstart: 60. C
CapillaryHP-11354.Breme, Langle, et al., 200850. m/0.20 mm/0.33 «mu»m, Helium, 2. K/min, 250. C @ 20. min; Tstart: 60. C
CapillarySPB-51408.Sebastian, Viallon-Fernandez, et al., 200360. m/0.32 mm/1.0 «mu»m, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C
CapillaryDB-51410.Sanz, Czerny, et al., 200230. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 6. K/min, 230. C @ 5. min
CapillaryDB-5MS1427.Cadwallader and Heo, 200130. m/0.53 mm/1.5 «mu»m, He, 40. C @ 5. min, 6. K/min, 225. C @ 30. min
CapillaryAT-11374.Kelling, 2001He, 50. C @ 2. min, 10. K/min; Tend: 300. C
CapillaryDB-5 MS1401.Suriyaphan, Drake, et al., 199960. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 5. min, 3. K/min, 200. C @ 30. min
CapillaryHP-11362.Boatright and Crum, 199730. m/0.25 mm/0.1 «mu»m, He, 50. C @ 2. min, 5. K/min, 300. C @ 3. min
CapillaryDB-51388.Moio, Dekimpe, et al., 199330. m/0.32 mm/1. «mu»m, H2, 3. K/min; Tstart: 40. C; Tend: 220. C
CapillaryUltra-11339.Okumura, 199125. m/0.32 mm/0.25 «mu»m, He, 3. K/min; Tstart: 80. C; Tend: 260. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySE-541388.Christlbauer and Schieberle, 200930. m/0.32 mm/0.25 «mu»m, Helium; Program: 35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0C
CapillaryHP-11351.Breme, Langle, et al., 200850. m/0.20 mm/0.33 «mu»m, Helium; Program: not specified
CapillaryDB-51388.Buettner, 200730. m/0.32 mm/0.25 «mu»m; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillaryDB-51387.Steinhaus and Schieberle, 200530. m/0.32 mm/0.25 «mu»m, He; Program: 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C
CapillarySE-541388.Buettner and Welle, 200430. m/0.32 mm/0.25 «mu»m, He; Program: 40C (2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillarySE-541388.Buettner, 200430. m/0.32 mm/0.25 «mu»m, He; Program: 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min)
CapillaryHP-51409.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 «mu»m; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillarySPB-51402.Begnaud, Pérès, et al., 200360. m/0.32 mm/1. «mu»m; Program: not specified
CapillaryDB-5MS1420.Young, Lane, et al., 200330. m/0.25 mm/1. «mu»m; Program: 50C => 3C/min => 160C => 6C/min => 250C => 25C/min => 325C
CapillarySE-541388.Schermann and Schieberle, 199730. m/0.32 mm/0.25 «mu»m, He; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C
CapillaryDB-51390.Schieberle, 1996Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryDB-11365.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 «mu»m; Program: not specified
CapillaryDB-11365.Kawai, Ishida, et al., 199160. m/0.25 mm/0.25 «mu»m; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryFFAP2484.Christlbauer and Schieberle, 200930. m/0.32 mm/0.25 «mu»m, Helium, 40. C @ 2. min, 6. K/min; Tend: 240. C
CapillaryDB-Wax2500.Mallia, Escher, et al., 200930. m/0.32 mm/0.25 «mu»m, Helium, 6. K/min, 240. C @ 5. min
CapillaryDB-Wax2459.Kishimoto, Wanikawa, et al., 200615. m/0.32 mm/0.25 «mu»m, He, 6. K/min, 230. C @ 20. min; Tstart: 40. C
CapillaryDB-FFAP2490.Sanz, Czerny, et al., 200230. m/0.32 mm/0.25 «mu»m, He, 40. C @ 2. min, 6. K/min, 230. C @ 5. min
CapillaryHP-FFAP2500.Preininger and Ullrich, 200150. m/0.32 mm/0.5 «mu»m, 6. K/min, 230. C @ 15. min; Tstart: 35. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryEC-10002530.Delabre and Bendall, 9999Program: not specified
CapillaryPolyethylene glycol (Free Fatty Acid Phase)2495.Harraca, Syed, et al., 2009Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryPolyethylene glycol (Free Fatty Acid Phase)2510.Harraca, Syed, et al., 2009Column length: 30. m; Column diameter: 0.25 mm; Program: not specified
CapillaryDB-FFAP2484.Buettner, 200730. m/0.32 mm/0.25 «mu»m; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillaryDB-Wax2495.Steinhaus and Schieberle, 200530. m/0.32 mm/0.25 «mu»m, He; Program: 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C
CapillaryDB-FFAP2484.Buettner and Welle, 200430. m/0.32 mm/0.25 «mu»m, He; Program: 40C (2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min)
CapillaryDB-FFAP2484.Buettner, 200430. m/0.32 mm/0.25 «mu»m, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min)
CapillaryDB-Wax2496.Peterson and Reineccius, 2003, 2Program: not specified
CapillaryFFAP2494.Schermann and Schieberle, 199730. m/0.32 mm/0.25 «mu»m, He; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5237.80Rostad and Pereira, 198630. m/0.26 mm/0.25 «mu»m, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min
CapillarySE-52239.20Vassilaros, Kong, et al., 198220. m/0.30 mm/0.25 «mu»m, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C
CapillarySE-52236.66Lee, Vassilaros, et al., 197912. m/0.3 mm/0.34 «mu»m, He, 2. K/min; Tstart: 50. C; Tend: 250. C

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone237.80Eckel, Ross, et al., 1993Program: not specified
CapillaryMethyl Silicone237.88Eckel, Ross, et al., 1993Program: 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.

Cowley and Partington, 1936
Cowley, E.G.; Partington, J.R., Studies in dielectric polarisation. Part XV. The dipole moments of fivemembered nitrogen ring compounds: indole,skatole,carbazole,isatin, phthalimide, and succinimide., J. Chem. Soc., 1936, 1936, 47. [all data]

Ribeiro da Silva, Cabral, et al., 2009
Ribeiro da Silva, Manuel A.V.; Cabral, Joana I.T.A.; Gomes, José R.B., Combined experimental and computational study of the energetics of methylindoles, The Journal of Chemical Thermodynamics, 2009, 41, 11, 1193-1198, https://doi.org/10.1016/j.jct.2009.05.018 . [all data]

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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Hager and Wallace, 1988
Hager, J.W.; Wallace, S.C., Two-laser photoionization supersonic jet mass spectrometry of aromatic molecules, Anal. Chem., 1988, 60, 5. [all data]

Gusten, Klasinc, et al., 1976
Gusten, H.; Klasinc, L.; Ruscic, B., Photoelectron spectroscopy of J. Heterocycl. Chem.. Indene analogs, Z. Naturforsch. A:, 1976, 31, 1051. [all data]

Tibor and Anna, 1971
Tibor, T.; Anna, B., Gázkromatográfiás retenció és a kémiai szerkezet, I., Magy. Kem. Foly., 1971, 77, 576-587. [all data]

Engel and Ratel, 2007
Engel, E.; Ratel, J., Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication, J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012 . [all data]

Lozano P.R., Drake M., et al., 2007
Lozano P.R.; Drake M.; Benitez D.; Cadwallader K.R., Instrumental and sensory characterization of heat-induced odorants in aseptically packaged soy milk, J. Agric. Food Chem., 2007, 55, 8, 3018-3026, https://doi.org/10.1021/jf0631225 . [all data]

Schlutt B., Moran N., et al., 2007
Schlutt B.; Moran N.; Schieberle P.; Hofmann T., Sensory-directed identification of creaminess-enhancing volatiles and semivolatiles in full-fat cream, J. Agric. Food Chem., 2007, 55, 23, 9634-9645, https://doi.org/10.1021/jf0721545 . [all data]

Alves, Pinto, et al., 2005
Alves, R.J.V.; Pinto, A.C.; da Costa, A.V.M.; Rezende, C.M., Zizyphus mauritiana Lam. (Rhamnaceae) and the chemical composition of its floral fecal odor, J. Braz. Chem. Soc., 2005, 16, 3B, 654-656, https://doi.org/10.1590/S0103-50532005000400027 . [all data]

Colahan-Sederstrom and Peterson, 2005
Colahan-Sederstrom, P.M.; Peterson, D.G., Inhibition of key aroma compound generated during ultrahigh-temperature processing of bovine milk via epicatechin addition, J. Agric. Food Chem., 2005, 53, 2, 398-402, https://doi.org/10.1021/jf0487248 . [all data]

Whetstine, Cadwallader, et al., 2005
Whetstine, M.E.C.; Cadwallader, K.R.; Drake, M.A., Characterization of aroma compounds responsible for the rosy/floral flavor in cheddar cheese, J. Agric. Food Chem., 2005, 53, 8, 3126-3132, https://doi.org/10.1021/jf048278o . [all data]

Mahajan, Goddik, et al., 2004
Mahajan, S.S.; Goddik, L.; Qian, M.C., Aroma Compounds in Sweet Whey Powder, J. Dairy Sci., 2004, 87, 12, 4057-4063, https://doi.org/10.3168/jds.S0022-0302(04)73547-X . [all data]

Karagül-Yüceer, Vlahovich, et al., 2003
Karagül-Yüceer, Y.; Vlahovich, K.N.; Drake, M.A.; Cadwallader, K.R., Characteristic aroma components of rennet casein, J. Agric. Food Chem., 2003, 51, 23, 6797-6801, https://doi.org/10.1021/jf0345806 . [all data]

Peterson and Reineccius, 2003
Peterson, D.G.; Reineccius, G.A., Characterization of the volatile compounds that constitute fresh sweet cream butter aroma, Flavour Fragr. J., 2003, 18, 3, 215-220, https://doi.org/10.1002/ffj.1192 . [all data]

Peterson and Reineccius, 2003, 2
Peterson, D.G.; Reineccius, G.A., Determination of the aroma impact compounds in heated sweet cream butter, Flavour Fragr. J., 2003, 18, 4, 320-324, https://doi.org/10.1002/ffj.1228 . [all data]

Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A., Volatile flavor components of stored nonfat dry milk, J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a . [all data]

Karagül-Yüceer, Drake, et al., 2001
Karagül-Yüceer, Y.; Drake, M.; Cadwallader, K.R., Aroma-active components of nonfat dry milk, J. Agric. Food Chem., 2001, 49, 6, 2948-2953, https://doi.org/10.1021/jf0009854 . [all data]

Lee, Suriyaphan, et al., 2001
Lee, G.-H.; Suriyaphan, O.; Cadwallader, K.R., Aroma components of cooked tail meat of American lobster (Homarus americanus), J. Agric. Food Chem., 2001, 49, 9, 4324-4332, https://doi.org/10.1021/jf001523t . [all data]

Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F., Odorous constituents of ovine milk in relationship to diet, J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3 . [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 . [all data]

Kim, Lee, et al., 2003
Kim, T.H.; Lee, S.M.; Kim, Y.-S.; Kim, K.H.; Oh, S.; Lee, H.J., Aroma dilution method using GC injector split ratio for volatile compounds extracted by headspace solid phase microextraction, Food Chem., 2003, 83, 1, 151-158, https://doi.org/10.1016/S0308-8146(03)00221-8 . [all data]

Jezussek, Juliano, et al., 2002
Jezussek, M.; Juliano, B.O.; Schieberle, P., Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis, J. Agric. Food Chem., 2002, 50, 5, 1101-1105, https://doi.org/10.1021/jf0108720 . [all data]

Zehentbauer and Reineccius, 2002
Zehentbauer, G.; Reineccius, G.A., Determination of key aroma components of cheddar cheese using dynamic headspace dilution assay, Flavour Fragr. J., 2002, 17, 4, 300-305, https://doi.org/10.1002/ffj.1102 . [all data]

Zimmermann and Schieberle, 2000
Zimmermann, M.; Schieberle, P., Important odorants of sweet bell pepper powder (Capsicum annuum cv. annuum): differences between samples of Hungarian and Morrocan origin, Eur. Food Res. Technol., 2000, 211, 3, 175-180, https://doi.org/10.1007/s002170050019 . [all data]

Milo and Reineccius, 1997
Milo, C.; Reineccius, G.A., Identification and quantification of potent odorants in regular-fat and low-fat mild cheddar cheese, J. Agric. Food Chem., 1997, 45, 9, 3590-3594, https://doi.org/10.1021/jf970152m . [all data]

Yasuhara, Shiraishi, et al., 1997
Yasuhara, A.; Shiraishi, H.; Nishikawa, M.; Yamamoto, T.; Uehiro, T.; Nakasugi, O.; Okumura, T.; Kenmotsu, K.; Fukui, H.; Nagase, M.; Ono, Y.; Kawagoshi, Y.; Baba, K.; Noma, Y., Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometry, J. Chromatogr. A, 1997, 774, 1-2, 321-332, https://doi.org/10.1016/S0021-9673(97)00078-2 . [all data]

Lozano P.R., Miracle E.R., et al., 2007
Lozano P.R.; Miracle E.R.; Krause A.J.; Drake M.; Cadwallader K.R., Effect of cold storage and packaging material on the major aroma components of sweet cream butter, J. Agric. Food Chem., 2007, 55, 19, 7840-7846, https://doi.org/10.1021/jf071075q . [all data]

Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R., Characterization of nutty flavor in cheddar cheese, J. Dairy Sci., 2004, 87, 7, 1999-2010, https://doi.org/10.3168/jds.S0022-0302(04)70017-X . [all data]

Chung, 1999
Chung, H.Y., Volatile components in crabmeats of Charybdis feriatus, J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t . [all data]

Frauendorfer and Schieberle, 2006
Frauendorfer, F.; Schieberle, P., Identification of the key aroma compounds in Cocoa powder based on molecular sensoly correlations, J. Agr. Food Chem., 2006, 54, 15, 5521-5529, https://doi.org/10.1021/jf060728k . [all data]

Munk, Johansen, et al., 2001
Munk, S.; Johansen, C.; Stahnke, L.H.; Adler-Nissen, J., Microbial survival and odor in laundry, Journal of Surfactants and Detergents, 2001, 4, 4, 385-394, https://doi.org/10.1007/s11743-001-0192-2 . [all data]

Yasuhara, 1987
Yasuhara, A., Identification of Volatile Compounds in Poultry Manure by Gas Chromatography-Mass Spectrometry, J. Chromatogr., 1987, 387, 371-378, https://doi.org/10.1016/S0021-9673(01)94539-X . [all data]

Fanaro, Duarte, et al., 2012
Fanaro, G.B.; Duarte, R.C.; Santillo, A.G.; Pinto e Silva, M.E.M.; Purgatto, E.; Villavicento, A.L.C.H., Evaluation of «gamma»-radiation on oolong tea odor volatiles, Radiation Phys. Chem., 2012, 81, 8, 1152-1156, https://doi.org/10.1016/j.radphyschem.2011.11.061 . [all data]

Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G., Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth, J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y . [all data]

Mallia, Escher, et al., 2009
Mallia, S.; Escher, F.; Dubois, S.; Schieberle, P.; Schlichtherle-Cerny, H., Characterization and quantification of odor-active compounds in unsaturated fatty acid/conjugated linoleic acid (UFA/CLA)-enriched butter and in conventional butter during storage and induced oxidation, J. Agric. Food Chem., 2009, 57, 16, 7464-7472, https://doi.org/10.1021/jf9002158 . [all data]

Breme, Langle, et al., 2008
Breme, K.; Langle, S.; Fernandez, X.; Meierhenrich, U.J.; Brevard, H.; Joulain, D., Character impact odorants from Brassicaceae by aroma extracts dilution analysis (AEDA): Brassica cretica and Brassica insularis, Flavour Fragr. J., 2008, 24, 2, 88-93, https://doi.org/10.1002/ffj.1912 . [all data]

Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L., Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding, Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511 . [all data]

Sanz, Czerny, et al., 2002
Sanz, C.; Czerny, M.; Cid, C.; Schieberle, P., Comparison of potent odorants in a filtered coffee brew and in an instant coffee beverage by aroma extract dilution analysis (AEDA), Eur. Food Res. Technol., 2002, 214, 4, 299-302, https://doi.org/10.1007/s00217-001-0459-9 . [all data]

Cadwallader and Heo, 2001
Cadwallader, K.R.; Heo, J., Aroma of roasted sesame oil: characterization by direct thermal desorption-gas chromatography-olfactometry and sample dilution analysis, Am. Chem. Soc. Symp. Ser., 2001, 782, 187-202. [all data]

Kelling, 2001
Kelling, F.J., Olfaction in houseflies: morphology and electrophysiology. Chapter 7. Chemical and electrophysiological analysis of components, present in natural products that attract houseflies, Dissertation, University of Groningen, The Netherlands, 2001. [all data]

Suriyaphan, Drake, et al., 1999
Suriyaphan, O.; Drake, M.A.; Cadwallader, K.R., Identification of volatile off-flavors in reduced-fat cheddar cheeses containing lecitin, Lebensm.-Wiss. u. Technol., 1999, 32, 5, 250-254, https://doi.org/10.1006/fstl.1999.0543 . [all data]

Boatright and Crum, 1997
Boatright, W.L.; Crum, A.D., Nonpolar-volatile lipids from soy protein isolates and hexane-defatted flakes, J. Amer. Oil Chem. Soc., 1997, 74, 4, 461-467, https://doi.org/10.1007/s11746-997-0107-z . [all data]

Moio, Dekimpe, et al., 1993
Moio, L.; Dekimpe, J.; Etievant, P.; Addeo, F., Neutral volatile compounds in the raw milks from different species, J. Dairy Res., 1993, 60, 2, 199-213, https://doi.org/10.1017/S0022029900027515 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]

Christlbauer and Schieberle, 2009
Christlbauer, M.; Schieberle, P., Characterization of the key aroma compounds in beef and pork vegetable gravies a la chef by application of the aroma extract dilution analysis, J. Agric. Food Chem., 2009, 57, 19, 9114-9112, https://doi.org/10.1021/jf9023189 . [all data]

Buettner, 2007
Buettner, A., A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples, Flavour Fragr. J., 2007, 22, 6, 465-473, https://doi.org/10.1002/ffj.1822 . [all data]

Steinhaus and Schieberle, 2005
Steinhaus, M.; Schieberle, P., Characterization of odorants causing an atypical aroma in white pepper powder (Piper nigrum L.) based on quantitative measurements and orthonasal breakthrough thresholds, J. Agric. Food Chem., 2005, 53, 15, 6049-6055, https://doi.org/10.1021/jf0506030 . [all data]

Buettner and Welle, 2004
Buettner, A.; Welle, F., Intra-oral detection of potent odorants using a modified stir-bar sorptive extraction system in combination with HRGC-O, known as the buccal odour screening system (BOSS), Flavour Fragr. J., 2004, 19, 6, 505-514, https://doi.org/10.1002/ffj.1473 . [all data]

Buettner, 2004
Buettner, A., Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS), J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b . [all data]

Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J., Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham, J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826 . [all data]

Begnaud, Pérès, et al., 2003
Begnaud, F.; Pérès, C.; Berdagué, J.-L., Characterization of volatile effluents of livestock buildings by solid-phase microextraction, Int. J. Environ. Anal. Chem., 2003, 83, 10, 837-849, https://doi.org/10.1080/03067310310001603349 . [all data]

Young, Lane, et al., 2003
Young, O.A.; Lane, G.A.; Priolo, A.; Fraser, K., Pastoral and species flavour in lambs raised on pasture, lucerne or maize, J. Sci. Food Agric., 2003, 83, 2, 93-104, https://doi.org/10.1002/jsfa.1282 . [all data]

Schermann and Schieberle, 1997
Schermann, P.; Schieberle, P., Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses, J. Agric. Food Chem., 1997, 45, 3, 867-872, https://doi.org/10.1021/jf960670h . [all data]

Schieberle, 1996
Schieberle, P., Odour-active compounds in moderately roasted sesame, Food Chem., 1996, 55, 2, 145-152, https://doi.org/10.1016/0308-8146(95)00095-X . [all data]

Kawai, Ishida, et al., 1991
Kawai, T.; Ishida, Y.; Kakiuchi, H.; Ikeda, N.; Higashida, T.; Nakamura, S., Flavor components of dried squid, J. Agric. Food Chem., 1991, 39, 4, 770-777, https://doi.org/10.1021/jf00004a031 . [all data]

Kishimoto, Wanikawa, et al., 2006
Kishimoto, T.; Wanikawa, A.; Kono, K.; Shibata, K., Comparison of the Odor-Active Compounds in Unhopped Beer and Beers Hopped with Different Hop Varieties, J. Agric. Food Chem., 2006, 54, 23, 8855-8861, https://doi.org/10.1021/jf061342c . [all data]

Preininger and Ullrich, 2001
Preininger, M.; Ullrich, F., Trace compound analysis for off-flavor characterization of micromilled milk powder, Am. Chem. Soc. Symp. Ser., 2001, 782, 46-61. [all data]

Delabre and Bendall, 9999
Delabre, M.-L.; Bendall, J.F., Flavour ingredients from fermented dairy streams, Expression of Multidisciplinary Flavour Sci., 9999, 375-378. [all data]

Harraca, Syed, et al., 2009
Harraca, V.; Syed, Z.; Guerin, P.M., Olfactory and behavioural responces of tsetse flies, Glossina spp., to rumen metabolites, J. Comp. Physiol. A, 2009, 195, 9, 815-824, https://doi.org/10.1007/s00359-009-0459-y . [all data]

Vassilaros, Kong, et al., 1982
Vassilaros, D.L.; Kong, R.C.; Later, D.W.; Lee, M.L., Linear retention index system for polycyclic aromatic compounds. Critical evaluation and additional indices, J. Chromatogr., 1982, 252, 1-20, https://doi.org/10.1016/S0021-9673(01)88394-1 . [all data]

Lee, Vassilaros, et al., 1979
Lee, M.L.; Vassilaros, D.L.; White, C.M.; Novotny, M., Retention Indices for Programmed-Temperature Capillary-Column Gas Chromatography of Polycyclic Aromatic Hydrocarbons, Anal. Chem., 1979, 51, 6, 768-773, https://doi.org/10.1021/ac50042a043 . [all data]

Eckel, Ross, et al., 1993
Eckel, W.P.; Ross, B.; Isensee, R.K., Pentobarbital found in ground water, Ground Water, 1993, 31, 5, 801-804, https://doi.org/10.1111/j.1745-6584.1993.tb00853.x . [all data]


Notes

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