PMID- 27779869
OWN - NLM
STAT- MEDLINE
DCOM- 20180817
LR  - 20180817
IS  - 1520-6882 (Electronic)
IS  - 0003-2700 (Linking)
VI  - 88
IP  - 22
DP  - 2016 Nov 15
TI  - Ion-Mobility-Derived Collision Cross Section as an Additional Identification 
      Point for Multiresidue Screening of Pesticides in Fish Feed.
PG  - 11169-11177
AB  - Ion mobility spectrometry allows for the measurement of the collision cross 
      section (CCS), which provides information about the shape of an ionic molecule in 
      the gas phase. Although the hyphenation of traveling-wave ion mobility 
      spectrometry (TWIMS) with high-resolution quadrupole time-of-flight mass 
      spectrometry (QTOFMS) has been mainly used for structural elucidation purposes, 
      its potential for fast screening of small molecules in complex samples has not 
      yet been thoroughly evaluated. The current work explores the capabilities of 
      ultrahigh-performance liquid chromatography (UHPLC) coupled to a new design 
      TWIMS-QTOFMS for the screening and identification of a large set of pesticides in 
      complex salmon feed matrices. A database containing TWIMS-derived CCS values for 
      more than 200 pesticides is hereby presented. CCS measurements showed high intra- 
      and interday repeatability (RSD < 1%), and they were not affected by the 
      complexity of the investigated matrices (DeltaCCS </= 1.8%). The use of TWIMS in 
      combination with QTOFMS was demonstrated to provide an extra-dimension, which 
      resulted in increased peak capacity and selectivity in real samples. Thus, many 
      false-positive detections could be straightforwardly discarded just by applying a 
      maximum DeltaCCS tolerance of +/-2%. CCS was proposed as a valuable additional 
      identification point in the pesticides screening workflow. Several commercial 
      fish feed samples were finally analyzed to demonstrate the applicability of the 
      proposed approach. Ethoxyquin and pirimiphos-methyl were identified in most of 
      the analyzed samples, whereas tebuconazole and piperonil butoxide were identified 
      for the first time in fish feed samples.
FAU - Regueiro, Jorge
AU  - Regueiro J
AD  - National Institute of Nutrition and Seafood Research (NIFES), P.O. Box 2029 
      Nordnes, N-5817 Bergen, Norway.
FAU - Negreira, Noelia
AU  - Negreira N
AD  - National Institute of Nutrition and Seafood Research (NIFES), P.O. Box 2029 
      Nordnes, N-5817 Bergen, Norway.
FAU - Berntssen, Marc H G
AU  - Berntssen MH
AD  - National Institute of Nutrition and Seafood Research (NIFES), P.O. Box 2029 
      Nordnes, N-5817 Bergen, Norway.
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20161104
PL  - United States
TA  - Anal Chem
JT  - Analytical chemistry
JID - 0370536
RN  - 0 (Pesticides)
RN  - LWK91TU9AH (Piperonyl Butoxide)
SB  - IM
MH  - Animal Feed/*analysis
MH  - Animals
MH  - Chromatography, High Pressure Liquid
MH  - *Fishes
MH  - Ion Mobility Spectrometry
MH  - Mass Spectrometry
MH  - Pesticides/*analysis
MH  - Piperonyl Butoxide/*analysis
EDAT- 2016/10/26 06:00
MHDA- 2018/08/18 06:00
CRDT- 2016/11/05 06:00
PHST- 2016/10/26 06:00 [pubmed]
PHST- 2018/08/18 06:00 [medline]
PHST- 2016/11/05 06:00 [entrez]
AID - 10.1021/acs.analchem.6b03381 [doi]
PST - ppublish
SO  - Anal Chem. 2016 Nov 15;88(22):11169-11177. doi: 10.1021/acs.analchem.6b03381. 
      Epub 2016 Nov 4.