Simultaneous GC-MS quantitation of phosphoric, aliphatic and aromatic carboxylic acids, proline and hydroxymethylfurfurol as their trimethylsilyl derivatives: In model solutions II.

Research output: Contribution to journalArticle

23 Citations (Scopus)

Abstract

Fragmentation patterns and quantitation possibilities of gas chromatography-mass spectrometry (GC-MS) with Ion Trap Detection (ITD) are reported for the trimethylsilyl (TMS) derivatives of selected aliphatic and aromatic/cyclohexanoic, mono-, di- and polyhydroxy/methoxy carboxylic acids, o-phosphoric acid, proline and 5-hydroxymethylfurfurol (HMF) - (common in natural matrices, such as fruits, honey etc.). In order to maintain stability of derivatives, their stock solutions were diluted with hexamethyldisilazane. Quantitation was carried out simultaneously on the basis both of the total ion current (TIC) and selective fragment ion (SFI) values. Data obtained proved that (i) the fragmentation of different TMS acids provided very informative, utilizable characteristics, that were also suitable for quantitation; (ii) the type of fragments do not differ in their m/z values compared to those obtained in the Mass Spectral Database; (iii) the advantages of ITD due to its 'soft' fragmentation feature resulted in higher abundance of characteristic ions ([M]·+, [M-CH3]+, [M+1]+, [M+TMS]+, [M+2TMS]+) compared to the non characteristic reagent ones (at m/z = 73, 147). Determination of oxalic, glycolic, pyruvic, levulinic, succinic, malic, pimelic, tartaric, citric, palmitic, oleic, stearic, arachidic, shikimic, quinic, chlorogenic acids, as well as those of o-phosphoric acid, HMF and proline have been carried out in the concentration range of 1-20 ng of compounds. Reproducibility on the basis of TIC and SFI values, in the order listed, proved to be 0.8-8.6% and 1.3-16.0% (relative standard deviation percentages).

Original languageEnglish
Pages (from-to)111-119
Number of pages9
JournalChromatographia
Volume48
Issue number1-2
DOIs
Publication statusPublished - 1998

Fingerprint

Carboxylic Acids
Carboxylic acids
Proline
Gas chromatography
Gas Chromatography-Mass Spectrometry
Mass spectrometry
Ions
Derivatives
Quinic Acid
Chlorogenic Acid
Honey
Succinic Acid
Fruits
Fruit
Databases
Acids

Keywords

  • 5-Hydroxymethylfufurol
  • Gas chromatography-mass spectrometry
  • Model solution
  • o-Phosphoric acid
  • Shikimic, quinic, chlorogenic acids

ASJC Scopus subject areas

  • Analytical Chemistry
  • Clinical Biochemistry

Cite this

@article{4460ae49069a4cedb299331a6f80b47e,
title = "Simultaneous GC-MS quantitation of phosphoric, aliphatic and aromatic carboxylic acids, proline and hydroxymethylfurfurol as their trimethylsilyl derivatives: In model solutions II.",
abstract = "Fragmentation patterns and quantitation possibilities of gas chromatography-mass spectrometry (GC-MS) with Ion Trap Detection (ITD) are reported for the trimethylsilyl (TMS) derivatives of selected aliphatic and aromatic/cyclohexanoic, mono-, di- and polyhydroxy/methoxy carboxylic acids, o-phosphoric acid, proline and 5-hydroxymethylfurfurol (HMF) - (common in natural matrices, such as fruits, honey etc.). In order to maintain stability of derivatives, their stock solutions were diluted with hexamethyldisilazane. Quantitation was carried out simultaneously on the basis both of the total ion current (TIC) and selective fragment ion (SFI) values. Data obtained proved that (i) the fragmentation of different TMS acids provided very informative, utilizable characteristics, that were also suitable for quantitation; (ii) the type of fragments do not differ in their m/z values compared to those obtained in the Mass Spectral Database; (iii) the advantages of ITD due to its 'soft' fragmentation feature resulted in higher abundance of characteristic ions ([M]·+, [M-CH3]+, [M+1]+, [M+TMS]+, [M+2TMS]+) compared to the non characteristic reagent ones (at m/z = 73, 147). Determination of oxalic, glycolic, pyruvic, levulinic, succinic, malic, pimelic, tartaric, citric, palmitic, oleic, stearic, arachidic, shikimic, quinic, chlorogenic acids, as well as those of o-phosphoric acid, HMF and proline have been carried out in the concentration range of 1-20 ng of compounds. Reproducibility on the basis of TIC and SFI values, in the order listed, proved to be 0.8-8.6{\%} and 1.3-16.0{\%} (relative standard deviation percentages).",
keywords = "5-Hydroxymethylfufurol, Gas chromatography-mass spectrometry, Model solution, o-Phosphoric acid, Shikimic, quinic, chlorogenic acids",
author = "I. Moln{\'a}r-Perl and A. Vasanits and K. Horv{\'a}th",
year = "1998",
doi = "10.1007/BF02467526",
language = "English",
volume = "48",
pages = "111--119",
journal = "Chromatographia",
issn = "0009-5893",
publisher = "Springer Vieweg",
number = "1-2",

}

TY - JOUR

T1 - Simultaneous GC-MS quantitation of phosphoric, aliphatic and aromatic carboxylic acids, proline and hydroxymethylfurfurol as their trimethylsilyl derivatives

T2 - In model solutions II.

AU - Molnár-Perl, I.

AU - Vasanits, A.

AU - Horváth, K.

PY - 1998

Y1 - 1998

N2 - Fragmentation patterns and quantitation possibilities of gas chromatography-mass spectrometry (GC-MS) with Ion Trap Detection (ITD) are reported for the trimethylsilyl (TMS) derivatives of selected aliphatic and aromatic/cyclohexanoic, mono-, di- and polyhydroxy/methoxy carboxylic acids, o-phosphoric acid, proline and 5-hydroxymethylfurfurol (HMF) - (common in natural matrices, such as fruits, honey etc.). In order to maintain stability of derivatives, their stock solutions were diluted with hexamethyldisilazane. Quantitation was carried out simultaneously on the basis both of the total ion current (TIC) and selective fragment ion (SFI) values. Data obtained proved that (i) the fragmentation of different TMS acids provided very informative, utilizable characteristics, that were also suitable for quantitation; (ii) the type of fragments do not differ in their m/z values compared to those obtained in the Mass Spectral Database; (iii) the advantages of ITD due to its 'soft' fragmentation feature resulted in higher abundance of characteristic ions ([M]·+, [M-CH3]+, [M+1]+, [M+TMS]+, [M+2TMS]+) compared to the non characteristic reagent ones (at m/z = 73, 147). Determination of oxalic, glycolic, pyruvic, levulinic, succinic, malic, pimelic, tartaric, citric, palmitic, oleic, stearic, arachidic, shikimic, quinic, chlorogenic acids, as well as those of o-phosphoric acid, HMF and proline have been carried out in the concentration range of 1-20 ng of compounds. Reproducibility on the basis of TIC and SFI values, in the order listed, proved to be 0.8-8.6% and 1.3-16.0% (relative standard deviation percentages).

AB - Fragmentation patterns and quantitation possibilities of gas chromatography-mass spectrometry (GC-MS) with Ion Trap Detection (ITD) are reported for the trimethylsilyl (TMS) derivatives of selected aliphatic and aromatic/cyclohexanoic, mono-, di- and polyhydroxy/methoxy carboxylic acids, o-phosphoric acid, proline and 5-hydroxymethylfurfurol (HMF) - (common in natural matrices, such as fruits, honey etc.). In order to maintain stability of derivatives, their stock solutions were diluted with hexamethyldisilazane. Quantitation was carried out simultaneously on the basis both of the total ion current (TIC) and selective fragment ion (SFI) values. Data obtained proved that (i) the fragmentation of different TMS acids provided very informative, utilizable characteristics, that were also suitable for quantitation; (ii) the type of fragments do not differ in their m/z values compared to those obtained in the Mass Spectral Database; (iii) the advantages of ITD due to its 'soft' fragmentation feature resulted in higher abundance of characteristic ions ([M]·+, [M-CH3]+, [M+1]+, [M+TMS]+, [M+2TMS]+) compared to the non characteristic reagent ones (at m/z = 73, 147). Determination of oxalic, glycolic, pyruvic, levulinic, succinic, malic, pimelic, tartaric, citric, palmitic, oleic, stearic, arachidic, shikimic, quinic, chlorogenic acids, as well as those of o-phosphoric acid, HMF and proline have been carried out in the concentration range of 1-20 ng of compounds. Reproducibility on the basis of TIC and SFI values, in the order listed, proved to be 0.8-8.6% and 1.3-16.0% (relative standard deviation percentages).

KW - 5-Hydroxymethylfufurol

KW - Gas chromatography-mass spectrometry

KW - Model solution

KW - o-Phosphoric acid

KW - Shikimic, quinic, chlorogenic acids

UR - http://www.scopus.com/inward/record.url?scp=0031826113&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0031826113&partnerID=8YFLogxK

U2 - 10.1007/BF02467526

DO - 10.1007/BF02467526

M3 - Article

AN - SCOPUS:0031826113

VL - 48

SP - 111

EP - 119

JO - Chromatographia

JF - Chromatographia

SN - 0009-5893

IS - 1-2

ER -