Glycine, N-(3-methyl-1-oxo-2-butenyl)-, methyl ester
- Formula: C8H13NO3
- Molecular weight: 171.1937
- IUPAC Standard InChI: InChI=1S/C8H13NO3/c1-6(2)4-7(10)9-5-8(11)12-3/h4H,5H2,1-3H3,(H,9,10)
- IUPAC Standard InChIKey: HQJXTLHTVWAWPO-UHFFFAOYSA-N
- CAS Registry Number: 56009-34-8
- 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: Methyl N-(β-methylcrotonyl)glycine; N-(β-Methylcrotonyl)glycine methyl ester; β-Methylcrotonylglycine, methyl ester; (3-Methyl-but-2-enoylamino)-acetic acid methyl ester
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Mass spectrum (electron ionization)
Go To: Top, 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 | INST.OF CLINICAL BIOCHEM,RIKSHOSP,UNIV.OF OSLO,E.JELLUM,ET.A |
| NIST MS number | 24609 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | OV-1 | 1377. | Ramsdell and Tanaka, 1977 | N2, Anakrom, 4. K/min; Column length: 2. m; Tstart: 80. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1386. | Pinkston, Spiteller, et al., 1981 | H2, 80. C @ 7. min, 2. K/min; Column length: 30. m; Column diameter: 0.3 mm; Tend: 275. C |
| Capillary | OV-101 | 1386. | Spiteller and Spiteller, 1979 | He, 75. C @ 7. min, 2. K/min; Column length: 25. m; Tend: 280. C |
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.
Ramsdell and Tanaka, 1977
Ramsdell, H.S.; Tanaka, K.,
Gas chromatographic studies of twenty metabolically important acylglycines,
Clin. Chim. Acta, 1977, 74, 2, 109-114, https://doi.org/10.1016/0009-8981(77)90211-X
. [all data]
Pinkston, Spiteller, et al., 1981
Pinkston, D.; Spiteller, G.; von Henning, H.; Matthaei, D.,
High-resolution gas chromatography-mass spectrometry of the methyl esters of organic acids from uremic hemofiltrates,
J. Chromatogr., 1981, 223, 1, 1-19, https://doi.org/10.1016/S0378-4347(00)80063-8
. [all data]
Spiteller and Spiteller, 1979
Spiteller, M.; Spiteller, G.,
Trennung und charakterisierung saurer harnbest and- teile,
J. Chromatogr., 1979, 164, 3, 253-317, https://doi.org/10.1016/S0378-4347(00)81232-3
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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