Interactive self-modeling mixture analysis of ion mobility spectra

被引：31

作者：

Harrington, PD ^{[1
]}

Reese, ES ^{[1
]}

Rauch, PJ ^{[1
]}

Hu, LJ ^{[1
]}

Davis, DM ^{[1
]}

机构：

[1] EDGEWOOD RES DEV & ENGN CTR,CHEM & BIOL DETECT RES TEAM,ABERDEEN PROVING GROUND,MD 21010

来源：

APPLIED SPECTROSCOPY | 1997年 / 51卷 / 06期

关键词：

ion mobility spectrometry; multivariate curve resolution;

D O I：

10.1366/00037029760563499

中图分类号：

TH7 [仪器、仪表];

学科分类号：

0804 ; 080401 ; 081102 ;

摘要：

Ion mobility spectrometry (IMS) has been successfully developed to yield an advanced portable instrument. However, the formation of pure or heterogeneous cluster ions introduces nonlinear variances into the data. Cluster ions may arise from the sample in addition, and competition to the standard anticipated product ions and may deleteriously affect quantitative determinations. The SIMPLISMA (simple-to-use interactive self-modeling mixture analysis) method is demonstrated for detecting and modeling these nonlinear variances in IMS data, which is especially useful when vapor mixtures are encountered. Furthermore, SIMPLISMA may assist in the resolution of overlapping peaks that are characteristic of low-resolution IMS drift tubes. The synergistic combination of IMS and SIMPLISMA is shown for the detection of heterogeneous cluster ions produced from vapor mixtures of 1-pentanol and 1-octanol.

引用

页码：808 / 816

页数：9

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