@Article{zhang12protocol,
  author    = {Kai Zhang and Jon W Wong and Paul Yang and Douglas G Hayward and Takeo Sakuma and Yunyun Zou and Andr\'e Schreiber and Christopher Borton and Tung-Vi Nguyen and Banerjee Kaushik and Dasharath Oulkar},
  title     = {Protocol for an electrospray ionization tandem mass spectral product ion library: Development and application for identification of 240 pesticides in foods.},
  journal   = {Anal Chem},
  year      = {2012},
  volume    = {84},
  number    = {13},
  pages     = {5677--5684},
  abstract  = {Modern determination techniques for pesticides must yield identification quickly with high confidence for timely enforcement of tolerances. A protocol for the collection of liquid chromatography (LC) electrospray ionization (ESI)-quadruple linear ion trap (Q-LIT) mass spectrometry (MS) library spectra was developed. Following the protocol, an enhanced product ion (EPI) library of 240 pesticides was developed by use of spectra collected from two laboratories. A LC-Q-LIT-MS workflow using scheduled multiple reaction monitoring (sMRM) survey scan, information-dependent acquisition (IDA) triggered collection of EPI spectra, and library search was developed and tested to identify the 240 target pesticides in one single LC-Q-LIT MS analysis. By use of LC retention time, one sMRM survey scan transition, and a library search, 75-87\% of the 240 pesticides were identified in a single LC/MS analysis at fortified concentrations of 10 ng/g in 18 different foods. A conventional approach with LC-MS/MS using two MRM transitions produced the same identifications and comparable quantitative results with the same incurred foods as the LC-Q-LIT using EPI library search, finding 1.2-49 ng/g of either carbaryl, carbendazim, fenbuconazole, propiconazole, or pyridaben in peaches; carbendazim, imazalil, terbutryn, and thiabendazole in oranges; terbutryn in salmon; and azoxystrobin in ginseng. Incurred broccoli, cabbage, and kale were screened with the same EPI library using three LC-Q-LIT and a LC-quadruple time-of-flight (Q-TOF) instruments. The library search identified azoxystrobin, cyprodinil, fludioxinil, imidacloprid, metalaxyl, spinosyn A, D, and J, amd spirotetramat with each instrument. The approach has a broad application in LC-MS/MS type targeted screening in food analysis.},
  doi       = {10.1021/ac300844d},
  file      = {ZhangEtAl_ProtocolEITandem_AnalChem_2012.pdf:2012/ZhangEtAl_ProtocolEITandem_AnalChem_2012.pdf:PDF},
  keywords  = {TrACReview; metabolite ms; tandem ms},
  optmonth  = jul,
  owner     = {fhufsky},
  pmid      = {22686274},
  timestamp = {2012.07.26},
}

{"_id":"3QvLdznN3ix7djNEe","bibbaseid":"zhang-wong-yang-hayward-sakuma-zou-schreiber-borton-etal-protocolforanelectrosprayionizationtandemmassspectralproductionlibrarydevelopmentandapplicationforidentificationof240pesticidesinfoods-2012","authorIDs":[],"author_short":["Zhang, K.","Wong, J. W","Yang, P.","Hayward, D. G","Sakuma, T.","Zou, Y.","Schreiber, A.","Borton, C.","Nguyen, T.","Kaushik, B.","Oulkar, D."],"bibdata":{"bibtype":"article","type":"article","author":[{"firstnames":["Kai"],"propositions":[],"lastnames":["Zhang"],"suffixes":[]},{"firstnames":["Jon","W"],"propositions":[],"lastnames":["Wong"],"suffixes":[]},{"firstnames":["Paul"],"propositions":[],"lastnames":["Yang"],"suffixes":[]},{"firstnames":["Douglas","G"],"propositions":[],"lastnames":["Hayward"],"suffixes":[]},{"firstnames":["Takeo"],"propositions":[],"lastnames":["Sakuma"],"suffixes":[]},{"firstnames":["Yunyun"],"propositions":[],"lastnames":["Zou"],"suffixes":[]},{"firstnames":["André"],"propositions":[],"lastnames":["Schreiber"],"suffixes":[]},{"firstnames":["Christopher"],"propositions":[],"lastnames":["Borton"],"suffixes":[]},{"firstnames":["Tung-Vi"],"propositions":[],"lastnames":["Nguyen"],"suffixes":[]},{"firstnames":["Banerjee"],"propositions":[],"lastnames":["Kaushik"],"suffixes":[]},{"firstnames":["Dasharath"],"propositions":[],"lastnames":["Oulkar"],"suffixes":[]}],"title":"Protocol for an electrospray ionization tandem mass spectral product ion library: Development and application for identification of 240 pesticides in foods.","journal":"Anal Chem","year":"2012","volume":"84","number":"13","pages":"5677–5684","abstract":"Modern determination techniques for pesticides must yield identification quickly with high confidence for timely enforcement of tolerances. A protocol for the collection of liquid chromatography (LC) electrospray ionization (ESI)-quadruple linear ion trap (Q-LIT) mass spectrometry (MS) library spectra was developed. Following the protocol, an enhanced product ion (EPI) library of 240 pesticides was developed by use of spectra collected from two laboratories. A LC-Q-LIT-MS workflow using scheduled multiple reaction monitoring (sMRM) survey scan, information-dependent acquisition (IDA) triggered collection of EPI spectra, and library search was developed and tested to identify the 240 target pesticides in one single LC-Q-LIT MS analysis. By use of LC retention time, one sMRM survey scan transition, and a library search, 75-87% of the 240 pesticides were identified in a single LC/MS analysis at fortified concentrations of 10 ng/g in 18 different foods. A conventional approach with LC-MS/MS using two MRM transitions produced the same identifications and comparable quantitative results with the same incurred foods as the LC-Q-LIT using EPI library search, finding 1.2-49 ng/g of either carbaryl, carbendazim, fenbuconazole, propiconazole, or pyridaben in peaches; carbendazim, imazalil, terbutryn, and thiabendazole in oranges; terbutryn in salmon; and azoxystrobin in ginseng. Incurred broccoli, cabbage, and kale were screened with the same EPI library using three LC-Q-LIT and a LC-quadruple time-of-flight (Q-TOF) instruments. The library search identified azoxystrobin, cyprodinil, fludioxinil, imidacloprid, metalaxyl, spinosyn A, D, and J, amd spirotetramat with each instrument. The approach has a broad application in LC-MS/MS type targeted screening in food analysis.","doi":"10.1021/ac300844d","file":"ZhangEtAl_ProtocolEITandem_AnalChem_2012.pdf:2012/ZhangEtAl_ProtocolEITandem_AnalChem_2012.pdf:PDF","keywords":"TrACReview; metabolite ms; tandem ms","optmonth":"July","owner":"fhufsky","pmid":"22686274","timestamp":"2012.07.26","bibtex":"@Article{zhang12protocol,\n author = {Kai Zhang and Jon W Wong and Paul Yang and Douglas G Hayward and Takeo Sakuma and Yunyun Zou and Andr\\'e Schreiber and Christopher Borton and Tung-Vi Nguyen and Banerjee Kaushik and Dasharath Oulkar},\n title = {Protocol for an electrospray ionization tandem mass spectral product ion library: Development and application for identification of 240 pesticides in foods.},\n journal = {Anal Chem},\n year = {2012},\n volume = {84},\n number = {13},\n pages = {5677--5684},\n abstract = {Modern determination techniques for pesticides must yield identification quickly with high confidence for timely enforcement of tolerances. A protocol for the collection of liquid chromatography (LC) electrospray ionization (ESI)-quadruple linear ion trap (Q-LIT) mass spectrometry (MS) library spectra was developed. Following the protocol, an enhanced product ion (EPI) library of 240 pesticides was developed by use of spectra collected from two laboratories. A LC-Q-LIT-MS workflow using scheduled multiple reaction monitoring (sMRM) survey scan, information-dependent acquisition (IDA) triggered collection of EPI spectra, and library search was developed and tested to identify the 240 target pesticides in one single LC-Q-LIT MS analysis. By use of LC retention time, one sMRM survey scan transition, and a library search, 75-87\\% of the 240 pesticides were identified in a single LC/MS analysis at fortified concentrations of 10 ng/g in 18 different foods. A conventional approach with LC-MS/MS using two MRM transitions produced the same identifications and comparable quantitative results with the same incurred foods as the LC-Q-LIT using EPI library search, finding 1.2-49 ng/g of either carbaryl, carbendazim, fenbuconazole, propiconazole, or pyridaben in peaches; carbendazim, imazalil, terbutryn, and thiabendazole in oranges; terbutryn in salmon; and azoxystrobin in ginseng. Incurred broccoli, cabbage, and kale were screened with the same EPI library using three LC-Q-LIT and a LC-quadruple time-of-flight (Q-TOF) instruments. The library search identified azoxystrobin, cyprodinil, fludioxinil, imidacloprid, metalaxyl, spinosyn A, D, and J, amd spirotetramat with each instrument. The approach has a broad application in LC-MS/MS type targeted screening in food analysis.},\n doi = {10.1021/ac300844d},\n file = {ZhangEtAl_ProtocolEITandem_AnalChem_2012.pdf:2012/ZhangEtAl_ProtocolEITandem_AnalChem_2012.pdf:PDF},\n keywords = {TrACReview; metabolite ms; tandem ms},\n optmonth = jul,\n owner = {fhufsky},\n pmid = {22686274},\n timestamp = {2012.07.26},\n}\n\n","author_short":["Zhang, K.","Wong, J. W","Yang, P.","Hayward, D. 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