1H-Indole, 7-methyl-
- Formula: C9H9N
- Molecular weight: 131.1745
- IUPAC Standard InChIKey: KGWPHCDTOLQQEP-UHFFFAOYSA-N
- CAS Registry Number: 933-67-5
- 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: Indole, 7-methyl-; 7-Methylindol; 7-Methylindole
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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 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) | 7.714 ± 0.001 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.7136 ± 0.0006 | LS | Hager and Wallace, 1988 | LL |
7.53 ± 0.015 | PE | Gusten, Klasinc, et al., 1976 | LLK |
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-NW-8648 |
NIST MS number | 229249 |
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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-1 | 150. | 1346. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | OV-1 | 150. | 1346. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Capillary | OV-1 | 160. | 1353. | Zhang, Chen, et al., 1997 | 25. m/0.2 mm/0.33 μm, N2 |
Packed | SE-30 | 170. | 1365. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
Packed | SE-30 | 190. | 1384. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG-20M | 170. | 2400. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
Packed | PEG-20M | 190. | 2430. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1 | 1383.2 | Zhang, Shen, et al., 2000 | 25. m/0.2 mm/0.33 μm, 5. K/min; Tstart: 100. C; Tend: 180. C |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-52 | 235.49 | Vassilaros, Kong, et al., 1982 | 20. m/0.30 mm/0.25 μm, H2, 40. C @ 2. min, 4. K/min; Tend: 265. C |
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.
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]
Zhang, Chen, et al., 1997
Zhang, M.; Chen, B.; Shen, S.; Chen, S.,
Compositional studies of high-temperature coal tar by g.c.-FT-i.r. analysis of middle oil fractions,
Fuel, 1997, 76, 5, 415-423, https://doi.org/10.1016/S0016-2361(97)85518-4
. [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]
Zhang, Shen, et al., 2000
Zhang, M.-J.; Shen, S.-D.; Chen, S.-Y.; Sun, Y.-H.,
Analysis of heavy oil fractions in high-temperature coal tar by capillary gas chromatography/fourier transform infrared spectrometry,
Chin. J. Chromatogr., 2000, 18, 3, 241-246. [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]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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