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Benzoic acid, heptyl ester

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Mass spectrum (electron ionization)

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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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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 V.G. Zaikin, R.S.Borisov, TIPS RAS, Moscow, Russia
NIST MS number 368256

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Gas Chromatography

Go To: Top, 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
CapillaryDB-1170.1663.1Mijin and Antonovic, 200630. m/0.256 mm/0.25 «mu»m, N2
CapillaryDB-5170.1682.49Mijin and Antonovic, 200660. m/0.321 mm/0.25 «mu»m, N2
CapillarySE-30180.1665.Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30160.1657.Korhonen, 1986, 2N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30180.1657.Korhonen, 1986, 2N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30200.1660.Korhonen, 1986, 2N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30220.1670.Korhonen, 1986, 2N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30240.1672.Korhonen, 1986, 2N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30160.1657.Korhonen and Lind, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30180.1665.Korhonen and Lind, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
CapillarySE-30200.1673.Korhonen and Lind, 1985N2; Column length: 25. m; Column diameter: 0.33 mm
PackedSE-30100.1638.Pías and Gascó, 1975Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m
PackedSE-30120.1646.Pías and Gascó, 1975Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m
PackedSE-30140.1654.Pías and Gascó, 1975Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-351180.2184.Korhonen, 1986N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.2169.Korhonen, 1986, 2N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.2198.Korhonen, 1986, 2N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351220.2199.Korhonen, 1986, 2N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351160.2174.Korhonen and Lind, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351180.2184.Korhonen and Lind, 1985N2; Column length: 25. m; Column diameter: 0.32 mm
CapillaryOV-351200.2207.Korhonen and Lind, 1985N2; Column length: 25. m; Column diameter: 0.32 mm

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

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Column type Active phase I Reference Comment
Capillary5 % Phenyl methyl siloxane1704.Zaikin, 201030. m/0.25 mm/0.25 «mu»m, 15. K/min, 270. C @ 15. min; Tstart: 60. C
CapillarySE-301651.Korhonen, 1986, 2N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 310. C
CapillarySE-301668.Korhonen and Lind, 1985N2, 10. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C
CapillarySE-301653.Korhonen and Lind, 1985N2, 2. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C
CapillarySE-301662.Korhonen and Lind, 1985N2, 6. K/min; Column length: 25. m; Column diameter: 0.33 mm; Tstart: 100. C; Tend: 320. C

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

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Column type Active phase I Reference Comment
CapillaryOV-3512151.Korhonen, 1986, 2N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 220. C
CapillaryOV-3512176.Korhonen and Lind, 1985N2, 10. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C
CapillaryOV-3512142.Korhonen and Lind, 1985N2, 2. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C
CapillaryOV-3512158.Korhonen and Lind, 1985N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C; Tend: 230. C

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

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Column type Active phase I Reference Comment
CapillarySLB-5 MS1683.Costa, De Fina, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryDB-Wax2217.Peng, Yang, et al., 1991Program: not specified

References

Go To: Top, 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.

Mijin and Antonovic, 2006
Mijin, D.; Antonovic, D.G., The temperature dependence of the retention index for n-alkyl esters of acetic, propionic, cyclohexanecarboxylic, benzoic and phenylacetic acid on DB-1 and DB-5 capillary columns, J. Serb. Chem. Soc., 2006, 71, 6, 629-637, https://doi.org/10.2298/JSC0606629M . [all data]

Korhonen, 1986
Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XLVIII. Benzyl, (±)-1-Phenylethyl and 2-Phenylethyl Alcohols and the Corresponding Esters of Benzoic Acid and Its 2-, 3- and 4-Chloro, Pentafluoro, 4-Nitro and 3,5-Dinitro Derivatives on SE-30 and OV-351 Capillary Columns, J. Chromatogr., 1986, 363, 277-292. [all data]

Korhonen, 1986, 2
Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XLV. Retention Behaviour of C1-C12 n-Alkyl Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary Columns, J. Chromatogr., 1986, 356, 285-299, https://doi.org/10.1016/S0021-9673(00)91489-4 . [all data]

Korhonen and Lind, 1985
Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 1985, 322, 83-96, https://doi.org/10.1016/S0021-9673(01)97661-7 . [all data]

Pías and Gascó, 1975
Pías, J.B.; Gascó, L., GC Retention Data of Alcohols and Benzoyl Derivatives of Alcohols, J. Chromatogr. - Chrom. Data, 1975, d14-d16. [all data]

Zaikin, 2010
Zaikin, V.G., Personal communication: Retention indices measured during 2010, 2010. [all data]

Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L., An investigation on the volatile composition of some Artemisia species from Iran, Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References