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Benzoic acid, 2-(methylamino)-, methyl ester


IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, 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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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 NIST Mass Spectrometry Data Center, 2010
NIST MS number 374480

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, 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, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-Wax2068.Umano, Hagi, et al., 1994He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryVF-5MS1427.Todua, 201130. m/0.25 mm/0.25 «mu»m, He; Tstart: 60. C; Tend: 270. C
CapillaryDB-11376.Fanciullino, Gancel, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C
CapillaryHP-5MS1402.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryDB-11375.Gancel, Ollitrault, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C
CapillaryBP-11385.Lota, de Rocca Serra, et al., 200050. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryBP-11385.Lota, de Rocca Serra, et al., 200050. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1407.9Andriamaharavo, 201430. m/0.25 mm/0.25 «mu»m, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillarySE-521404.Frizzo, Lorenzo, et al., 200425. m/0.32 mm/0.43 «mu»m, H2; Program: 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)
CapillarySE-521415.Mondello, Dugo, et al., 199560. m/0.32 mm/0.40 «mu»m, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax2033.Fanciullino, Gancel, et al., 200530. m/0.25 mm/0.25 «mu»m, He, 3. K/min, 250. C @ 20. min; Tstart: 40. C
CapillaryDB-Wax2072.Njoroge, Koaze, et al., 200560. m/0.25 mm/0.25 «mu»m, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax2035.Gancel, Ollitrault, et al., 200360. m/0.32 mm/0.25 «mu»m, H2, 1.5 K/min, 245. C @ 20. min; Tstart: 40. C
CapillaryBP-202082.Lota, de Rocca Serra, et al., 200050. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryBP-202082.Lota, de Rocca Serra, et al., 200050. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillaryCarbowax 20M2055.Mondello, Dugo, et al., 199560. m/0.32 mm/0.425 «mu»m, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryVF-5 MS1412.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS1412.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillarySLB-5 MS1404.Scandinaro, Tranchida, et al., 201010. m/0.10 mm/0.10 «mu»m, Helium, 10. K/min; Tstart: 50. C; Tend: 250. C
CapillarySLB-5 MS1408.Scandinaro, Tranchida, et al., 201010. m/0.10 mm/0.10 «mu»m, Helium, 10. K/min; Tstart: 50. C; Tend: 250. C
CapillarySLB-5 MS1407.Lo Presti, Sciarrone, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 3. K/min, 250. C @ 10. min
CapillaryBP-11385.Fanciullino, Tomi, et al., 200650. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryBP-11385.Lota, de Rocca Serra, et al., 200150. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillarySPB-11388.Thomas and Bassols, 19925. K/min; Column length: 60. m; Tstart: 80. C; Tend: 230. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySLB-5 MS1410.Scandinaro, Tranchida, et al., 201010. m/0.10 mm/0.10 «mu»m, Helium; Program: not specified
CapillarySLB-5 MS1406.Lo Presti, Sciarrone, et al., 200830. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillarySE-301389.Vinogradov, 2004Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryBP-202082.Fanciullino, Tomi, et al., 200650. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C
CapillaryDB-Wax2118.Ito, Sugimoto, et al., 200260. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C
CapillaryFFAP2050.Ducruet, Fournier, et al., 200130. m/0.32 mm/0.25 «mu»m, H2, 40. C @ 5. min, 3. K/min; Tend: 240. C
CapillaryBP-202082.Lota, de Rocca Serra, et al., 200150. m/0.22 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 35. min; Tstart: 60. C
CapillarySupelcowax2123.Thomas and Bassols, 19925. K/min; Column length: 60. m; Tstart: 80. C; Tend: 230. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M2042.Vinogradov, 2004Program: not specified
CapillaryInnowax FSC2104.Saglam, Gozler, et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C

References

Go To: Top, 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.

Umano, Hagi, et al., 1994
Umano, K.; Hagi, Y.; Tamura, T.; Shoji, A.; Shibamoto, T., Identification of volatile compounds isolated from round kumquat (Fortunella japonica Swingle), J. Agric. Food Chem., 1994, 42, 9, 1888-1890, https://doi.org/10.1021/jf00045a011 . [all data]

Todua, 2011
Todua, N.G., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]

Fanciullino, Gancel, et al., 2005
Fanciullino, A.-L.; Gancel, A.-L.; Froelicher, Y.; Luro, F.; Ollitrault, P.; Brillouet, J.-M., Effects of Nucleo-cytoplasmic Interactions on Leaf Volatile Compounds from Citrus Somatic Diploid Hybrids, J. Agric. Food Chem., 2005, 53, 11, 4517-4523, https://doi.org/10.1021/jf0502855 . [all data]

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Gancel, Ollitrault, et al., 2003
Gancel, A.-L.; Ollitrault, P.; Froelicher, Y.; Tomi, F.; Jacquemond, C.; Luro, F.; Brillouet, J.-M., Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent, J. Agric. Food Chem., 2003, 51, 20, 6006-6013, https://doi.org/10.1021/jf0345090 . [all data]

Lota, de Rocca Serra, et al., 2000
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Casanova, J., Chemical variability of peel and leaf essential oils of mandarins from Citrus reticulata Blanco, Biochem. Syst. Ecol., 2000, 28, 1, 61-78, https://doi.org/10.1016/S0305-1978(99)00036-8 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E., Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil, J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x . [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Volatile Constituents of Redblush Grapefruit ( Citrus paradisi) and Pummelo ( Citrus grandis) Peel Essential Oils from Kenya, J. Agric. Food Chem., 2005, 53, 25, 9790-9794, https://doi.org/10.1021/jf051373s . [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Scandinaro, Tranchida, et al., 2010
Scandinaro, M.; Tranchida, P.Q.; Costa, R.; Dugo, P.; Mondello, L., Rapid Quality Control of Flavours and Fragrances using Fast GC-MS and Multi-MS Library Search Procedures, LCGC Europe, 2010, 23, 9, 456-464. [all data]

Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L., Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil, Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878 . [all data]

Fanciullino, Tomi, et al., 2006
Fanciullino, A.-L.; Tomi, F.; Luro, F.; Desjobert, J.M.; Casanova, J., Chemical variability of peel and leaf oils of mandarins, Flavour Fragr. J., 2006, 21, 2, 359-367, https://doi.org/10.1002/ffj.1658 . [all data]

Lota, de Rocca Serra, et al., 2001
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Casanova, J., Chemical variability of peel and leaf essential oils of 15 species of mandarins, Biochem. Syst. Ecol., 2001, 29, 1, 77-104, https://doi.org/10.1016/S0305-1978(00)00029-6 . [all data]

Thomas and Bassols, 1992
Thomas, A.F.; Bassols, F., Occurrence of pyridines and other bases in orange oil, J. Agric. Food Chem., 1992, 40, 11, 2236-2243, https://doi.org/10.1021/jf00023a037 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Ito, Sugimoto, et al., 2002
Ito, Y.; Sugimoto, A.; Kakuda, T.; Kubota, K., Identification of potent odorants in Chinese jasmine green tea scented with flowers of Jasminum sambac, J. Agric. Food Chem., 2002, 50, 17, 4878-4884, https://doi.org/10.1021/jf020282h . [all data]

Ducruet, Fournier, et al., 2001
Ducruet, V.; Fournier, N.; Saillard, P.; Feigenbaum, A.; Guichard, E., Influence of packaging on the aroma stability of strawberry syrup during shelf life, J. Agric. Food Chem., 2001, 49, 5, 2290-2297, https://doi.org/10.1021/jf0012796 . [all data]

Saglam, Gozler, et al., 2001
Saglam, H.; Gozler, T.; Kivcak, B.; Demirci, B.; Baser, K.H.C., Volatile compounds from Haplophyllum myrtifolium, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 442-444, https://doi.org/10.1023/A:1014467225815 . [all data]


Notes

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