PMID- 11777196
OWN - NLM
STAT- MEDLINE
DCOM- 20020117
LR  - 20181113
IS  - 1044-0305 (Print)
IS  - 1044-0305 (Linking)
VI  - 13
IP  - 1
DP  - 2002 Jan
TI  - Development of generic liquid chromatography-mass spectrometry methods using 
      experimental design.
PG  - 2-9
AB  - Standard approaches to development of liquid chromatography-mass spectrometry 
      (LC-MS) methods, either ion-pairing or reversed-phase liquid chromatography, have 
      been through trial and error or intentional variation of experimental factors. 
      These approaches to method optimization fail to take into account interactions 
      between experimental factors and therefore the results may not be optimal for the 
      combination of experimental factors. Another approach to optimization is through 
      the use of chemometrics. Chemometric approaches can be more efficient than trial 
      and error or intentional variation because chemometrics make use of multivariate 
      designs; experimental factors are varied simultaneously at the various levels. 
      Therefore chemometrics can take into account interactions between factors. The 
      goal of this study was to develop a generic ion-pair LC-MS method for the 
      analysis of acidic compounds using a chemometric approach called design of 
      experiments (DOE). Four acidic compounds which cover three classes of acidic 
      functional groups: 1-naphthyl phosphate (1), 1-naphthalenesulfonic acid (2), 
      2-naphthalenesulfonic acid (3), and (1-naphthoxy)acetic acid (4) were used as 
      model compounds to develop the generic method. This study illustrates that LC-MS 
      conditions can be optimized efficiently with minimal amount of experimentation 
      using a chemometric approach to experimental design.
FAU - Seto, Carmai
AU  - Seto C
AD  - Merck Frosst Canada and Company, Kirkland, Quebec. carmai_seto@merck.com
FAU - Bateman, Kevin P
AU  - Bateman KP
FAU - Gunter, Berton
AU  - Gunter B
LA  - eng
PT  - Journal Article
PL  - United States
TA  - J Am Soc Mass Spectrom
JT  - Journal of the American Society for Mass Spectrometry
JID - 9010412
SB  - IM
MH  - Chromatography, Liquid/*methods
MH  - Mass Spectrometry/*methods
MH  - Models, Statistical
MH  - *Research Design
EDAT- 2002/01/05 10:00
MHDA- 2002/01/23 10:01
CRDT- 2002/01/05 10:00
PHST- 2002/01/05 10:00 [pubmed]
PHST- 2002/01/23 10:01 [medline]
PHST- 2002/01/05 10:00 [entrez]
AID - 10.1016/S1044-0305(01)00334-8 [doi]
PST - ppublish
SO  - J Am Soc Mass Spectrom. 2002 Jan;13(1):2-9. doi: 10.1016/S1044-0305(01)00334-8.