1H-Pyrrole-2-carboxaldehyde


Gas phase ion energetics data

Go To: Top, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
8.93 ± 0.05EILinda, Marino, et al., 1971

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, 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-IW-8125
NIST MS number 228196

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, Gas phase ion energetics data, 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

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

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-51009.Deport, Ratel, et al., 200660. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 5. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1015.Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryDB-5MS1030.Varlet V., Knockaert C., et al., 200630. m/0.32 mm/0.5 μm, He; Program: 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2028.Lopez-Galilea I., Fournier N., et al., 200630. m/0.32 mm/0.5 μm, He, 5. K/min, 240. C @ 10. min; Tstart: 40. C
CapillaryHP-Innowax2048.Adamiec, Rossner, et al., 200130. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillarySupelcowax-102032.Chung, 200060. m/0.25 mm/0.25 μm, He, 2. K/min, 195. C @ 90. min; Tstart: 35. C
CapillarySupelcowax-102032.Chung, 199960. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryPEG-20M2030.Shimoda, Nakada, et al., 199760. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax2030.Shimoda, Shiratsuchi, et al., 199660. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryStabilwax2044.Natali N., Chinnici F., et al., 200630. m/0.25 mm/0.25 μm, He; Program: 40C => 3C/min => 100C => 5C/min => 240C(10min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1018.Jerkovic and Marijanovic, 201030. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
CapillaryHP-5 MS1008.Kim and Chung, 200930. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 2. K/min, 195. C @ 30. min
CapillaryUltra-1971.Du, Clery, et al., 200850. m/0.20 mm/0.33 μm, Helium, 2. K/min, 280. C @ 20. min; Tstart: 50. C
CapillaryHP-51008.Du, Clery, et al., 200850. m/0.20 mm/0.33 μm, Helium, 10. K/min, 280. C @ 8.5 min; Tstart: 50. C
CapillaryRTX-51047.Setkova, Risticevic, et al., 200710. m/0.18 mm/0.2 μm, He, 40. C @ 0.5 min, 50. K/min, 275. C @ 0.5 min
CapillaryHP-5MS1013.Kim, Abd El-Aty, et al., 200630. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 5. K/min, 280. C @ 10. min
CapillaryDB-1983.Chen and Ho, 199960. m/0.32 mm/1. μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C
CapillaryHP-51013.Boylston and Viniyard, 199850. m/0.32 mm/0.52 μm, 35. C @ 15. min, 2. K/min, 250. C @ 45. min
CapillaryDB-1989.Chen and Ho, 199860. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C
CapillaryDB-1997.Buttery, Ling, et al., 199730. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm
CapillaryDB-51031.Georgilopoulos and Gallois, 198830. m/0.35 mm/1.0 μm, Hydrogen, 2. K/min; Tstart: 45. C; Tend: 220. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups1030.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1030.Robinson, Adams, et al., 2012Program: not specified
CapillaryVF-51012.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min)
CapillaryVF-5988.Shivashankar, Roy, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryZB-51009.de Simon, Estruelas, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
CapillarySLB-5MS1043.Risticevic, Carasek, et al., 200810. m/0.18 mm/0.18 μm, Helium; Program: not specified
CapillaryHP-51016.Zhao, Li, et al., 200830. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
CapillarySE-301005.Vinogradov, 2004Program: not specified
CapillaryCP Sil 5 CB986.Counet, Callemien, et al., 200250. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-FFAP2067.Wanakhachornkrai and Lertsiri, 999925. m/0.32 mm/0.50 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryDB-Wax2059.Moon and Shibamoto, 200960. m/0.25 mm/0.50 μm, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min
CapillaryHP-Innowax2010.Du, Clery, et al., 200850. m/0.20 mm/0.33 μm, Helium, 10. K/min, 250. C @ 6. min; Tstart: 50. C
CapillaryHP-Innowax2035.Soria, Sanz, et al., 200850. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
CapillaryRTX-Wax2023.Prososki, Etzel, et al., 200730. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
CapillaryTC-Wax2044.Ishikawa, Ito, et al., 200460. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C
CapillaryDB-Wax2036.Yanagimoto, Ochi, et al., 200430. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C
CapillaryHP-FFAP2067.Wanakhachornkrai and Lertsiri, 200325. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C
CapillaryDB-Wax2009.Wei, Mura, et al., 200160. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-Wax2006.Buttery, Orts, et al., 199930. C @ 4. min, 2. K/min, 170. C @ 60. min; Column length: 60. m; Column diameter: 0.32 mm
CapillaryCarbowax 20M1978.Kawakami and Kobayashi, 1991He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2032.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryDB-Wax2038.Welke, Manfroi, et al., 201230. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryStabilwax2044.Chinnici, Guerrero, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min)
CapillarySupelcowax-101990.de Simon, Estruelas, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
CapillaryDB-Wax2013.Gonzalez-Rios, Suarez-Quiroz, et al., 200730. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C
CapillaryDB-Wax2019.Tian, Zhang, et al., 200730. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)
CapillaryDB-Wax1997.Krings, Zelena, et al., 200630. m/0.32 mm/0.25 μm, He; Program: 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min)
CapillaryInnowax2039.Ito and Mori, 200430. m/0.25 mm/0.50 μm, Helium; Program: 40 0C (2 min) 10 0C/min -> 100 0C 3 0C/min -> 160 0C 5 0C/min -> 260 0C (10 min)
CapillaryCarbowax 20M1976.Vinogradov, 2004Program: not specified

References

Go To: Top, Gas phase ion energetics data, 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.

Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S., A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization, J. Chem. Soc. B, 1971, 1585. [all data]

Deport, Ratel, et al., 2006
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Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T., Comparison of odor-active volatile compounds of fresh and smoked salmon, J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p . [all data]

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Adamiec, J.; Rossner, J.; Velisek, J.; Cejpek, K.; Savel, J., Minor Strecker degradation products of phenylalanine and phenylglycine, Eur. Food Res. Technol., 2001, 212, 2, 135-140, https://doi.org/10.1007/s002170000234 . [all data]

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Shimoda, M.; Nakada, Y.; Nakashima, M.; Osajima, Y., Quantitative comparison of volatile flavor compounds in deep-roasted and light-roasted sesame seed oil, J. Agric. Food Chem., 1997, 45, 8, 3193-3196, https://doi.org/10.1021/jf970172o . [all data]

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Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [all data]

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Krings, Zelena, et al., 2006
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Ito and Mori, 2004
Ito, K.; Mori, M., Formation of pyrazines in aqueous maltose/glucose/fructose-glutamide model systems upon heating at below 100 0C, Food Sci. Technol. Res., 2004, 10, 2, 199-204, https://doi.org/10.3136/fstr.10.199 . [all data]


Notes

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