Benzoic acid, 2-(methylamino)-, methyl ester
- Formula: C9H11NO2
- Molecular weight: 165.1891
- IUPAC Standard InChI: InChI=1S/C9H11NO2/c1-10-8-6-4-3-5-7(8)9(11)12-2/h3-6,10H,1-2H3
- IUPAC Standard InChIKey: GVOWHGSUZUUUDR-UHFFFAOYSA-N
- CAS Registry Number: 85-91-6
- 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: Anthranilic acid, N-methyl-, methyl ester; Methyl methanthranilate; Methyl methylanthranilate; Methyl o-(methylamino)benzoate; Methyl N-methyl-o-anthranilate; Methyl N-methylanthranilate; N-Methylanthranilic acid, methyl ester; Methyl-2-(N-methylamino)benzoate; 2-Methylaminobenzoic acid methyl ester; Dimethyl anthranilate; Methyl 2-methylaminobenzoate; Methyl m-methylanthranilate; Methyl methylaminobenzoate; N-Methyl methyl anthranilate; 2-Methylaminomethyl benzoate; Benzoic acid, o-(methylamino)-, methyl ester; Me N-methylanthranilate; Me N-methylanthranylate; Methyl benzoate, 2-methylamino; NSC 9406
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Van Den Dool and Kratz RI, polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | BP-20 | BP-20 |
| Column length (m) | 30. | 60. | 60. | 50. | 50. |
| Carrier gas | He | N2 | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 70. | 40. | 60. | 60. |
| Tend (C) | 250. | 230. | 245. | 230. | 230. |
| Heat rate (K/min) | 3. | 2. | 1.5 | 2. | 2. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 20. | 20. | 20. | 35. | 35. |
| I | 2033. | 2072. | 2035. | 2082. | 2082. |
| Reference | Fanciullino, Gancel, et al., 2005 | Njoroge, Koaze, et al., 2005 | Gancel, Ollitrault, et al., 2003 | Lota, de Rocca Serra, et al., 2000 | Lota, de Rocca Serra, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Carbowax 20M |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.425 |
| Tstart (C) | 45. |
| Tend (C) | 300. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 3. |
| Final hold (min) | 20. |
| I | 2055. |
| Reference | Mondello, Dugo, et al., 1995 |
| Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
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]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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