TY - JOUR
T1 - Method translation and full metadata transfer from thermal to differential flow modulated comprehensive two dimensional gas chromatography
T2 - Profiling of suspected fragrance allergens
AU - Cordero, Chiara
AU - Rubiolo, Patrizia
AU - Reichenbach, Stephen E.
AU - Carretta, Andrea
AU - Cobelli, Luigi
AU - Giardina, Matthew
AU - Bicchi, Carlo
PY - 2017/1/13
Y1 - 2017/1/13
N2 - The possibility to transfer methods from thermal to differential-flow modulated comprehensive two-dimensional gas chromatographic (GC × GC) platforms is of high interest to improve GC × GC flexibility and increase the compatibility of results from different platforms. The principles of method translation are here applied to an original method, developed for a loop-type thermal modulated GC × GC–MS/FID system, suitable for quali-quantitative screening of suspected fragrance allergens. The analysis conditions were translated to a reverse-injection differential flow modulated platform (GC × 2GC–MS/FID) with a dual-parallel secondary column and dual detection. The experimental results, for a model mixture of suspected volatile allergens and for raw fragrance mixtures of different composition, confirmed the feasibility of translating methods by preserving 1D elution order, as well as the relative alignment of resulting 2D peak patterns. A correct translation produced several benefits including an effective transfer of metadata (compound names, MS fragmentation pattern, response factors) by automatic template transformation and matching from the original/reference method to its translated counterpart. The correct translation provided: (a) 2D pattern repeatability, (b) MS fragmentation pattern reliability for identity confirmation, and (c) comparable response factors and quantitation accuracy within a concentration range of three orders of magnitude. The adoption of a narrow bore (i.e. 0.1 mm dc) first-dimension column to operate under close-to-optimal conditions with the differential-flow modulation GC × GC platform was also advantageous in halving the total analysis under the translated conditions.
AB - The possibility to transfer methods from thermal to differential-flow modulated comprehensive two-dimensional gas chromatographic (GC × GC) platforms is of high interest to improve GC × GC flexibility and increase the compatibility of results from different platforms. The principles of method translation are here applied to an original method, developed for a loop-type thermal modulated GC × GC–MS/FID system, suitable for quali-quantitative screening of suspected fragrance allergens. The analysis conditions were translated to a reverse-injection differential flow modulated platform (GC × 2GC–MS/FID) with a dual-parallel secondary column and dual detection. The experimental results, for a model mixture of suspected volatile allergens and for raw fragrance mixtures of different composition, confirmed the feasibility of translating methods by preserving 1D elution order, as well as the relative alignment of resulting 2D peak patterns. A correct translation produced several benefits including an effective transfer of metadata (compound names, MS fragmentation pattern, response factors) by automatic template transformation and matching from the original/reference method to its translated counterpart. The correct translation provided: (a) 2D pattern repeatability, (b) MS fragmentation pattern reliability for identity confirmation, and (c) comparable response factors and quantitation accuracy within a concentration range of three orders of magnitude. The adoption of a narrow bore (i.e. 0.1 mm dc) first-dimension column to operate under close-to-optimal conditions with the differential-flow modulation GC × GC platform was also advantageous in halving the total analysis under the translated conditions.
KW - Method translation
KW - Quantitative profiling
KW - Reverse-inject differential flow modulation
KW - Suspected fragrance allergens
KW - Template matching functions
KW - Two-dimensional comprehensive gas chromatography–mass spectrometry and flame ionization detection
UR - http://www.scopus.com/inward/record.url?scp=85006998247&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85006998247&partnerID=8YFLogxK
U2 - 10.1016/j.chroma.2016.12.011
DO - 10.1016/j.chroma.2016.12.011
M3 - Article
C2 - 28007300
AN - SCOPUS:85006998247
VL - 1480
SP - 70
EP - 82
JO - Journal of Chromatography A
JF - Journal of Chromatography A
SN - 0021-9673
ER -