ライフサイエンスコーパス: retention time

1 library (containing exact mass fragments and retention times).

2 ication in complex samples based on mass and retention time.

3 lutions that attempt to predict an analyte's retention time.

4 tion of the detected compound at the flagged retention time.

5 ide peptide and its composing peptides using retention time.

6 ion criteria of various matches and relative retention time.

7 ied by mass spectrometry and chromatographic retention time.

8 or very fast separations below 1 min overall retention time.

9 t risk and have a shortened keratoprosthesis retention time.

10 number for a compound class as a function of retention time.

11 carbon number, double bond equivalents, and retention time.

12 he top 3 candidates based on their predicted retention time.

13 pectrometry fragmentation or chromatographic retention time.

14 ir complete structures, accurate masses, and retention times.

15 formed spectral library and chromatographic retention times.

16 by accurate mass, MS/MS spectral match, and retention times.

17 with correct ion ratios and chromatographic retention times.

18 or 97% of the CCS values, compared to 80% of retention times.

19 retention times instead of only on observed retention times.

20 e were clustered into one group with similar retention times.

21 pid classes with 23 classes containing HILIC retention times.

22 th activated sludge grown at different solid retention times.

23 First dimension retention time ((1)t(R)) was obtained by using an expone

24 is not achieved, we increased the hydraulic retention time 100-fold over that of typical male urinat

25 lly, we report successful ACAIE performance (retention time 19 s) in removing dissolved arsenic from

26 Using UHPLC-UV-MS(E) information (retention time, absorbance at 450 nm, and accurate masse

27 plant tissue extracts and is independent of retention time, abundance, and elemental formula.

28 ates modifications based on a combination of retention time, accurate mass, elemental composition, an

29 identified in 44 samples by comparing their retention times, accurate mass and mass fragmentation pa

30 tentatively identified on the basis of their retention times, accurate mass measurements and subseque

31 els of sialylation also lead to longer serum retention times advantageous for therapy.

32 After retention time alignment and feature identification, 162

33 for pre-processing, analyte quantification, retention time alignment, and analyte grouping across ru

34 The tool utilizes retention time alignments, accurate mass tolerances, Pea

35 We find that a long solids retention time and a moderate aeration rate improve the

36 al analytical parameters in combination with retention time and accurate mass information to confirm

37 ic conditions; acquiring simultaneously m/z, retention time and CCS values for each analyte; processi

38 metry has added a third dimension (alongside retention time and exact mass) to aid in the identificat

39 termed Prosit, resulting in chromatographic retention time and fragment ion intensity predictions th

40 the glucuronide metabolite was confirmed by retention time and LC-MS/MS fragmentation matching with

41 The transient precorneal retention time and low penetration capacity into intraoc

42 hich are assigned based on gas-chromatograph retention time and mass spectral signature of the IVOC U

43 Finally, a peak having the same retention time and mass spectrum was also generated pyro

44 pattern, plausibility of the chromatographic retention time and MS/MS spectral interpretation (compar

45 However, shorter drug retention time and mucociliary clearance curtail the eff

46 ut, obtaining fast separation (10 min), good retention time and peak area repeatability, (RSD% 0.80 a

47 a. 2.6 mL per analysis, and CV, below 5% for retention time and peak height, showed the competitivene

48 systems for oral diseases suffer from short retention time and poor local concentrations at the targ

49 The retention time and response characteristics of the syste

50 less than 0.25% and 1.7% on average for the retention time and the signal area, respectively) were o

51 structures in a rapid manner by matching LC retention times and accurate masses.

52 fication as a result of excellent matches in retention times and also allowed quantification.

53 rred-tank reactor with 6.25-10 min hydraulic retention times and constant 900 mA.

54 DP moieties formed in our study matched the retention times and identification of those observed in

55 ds in juice were identified by comparing the retention times and mass spectra with those of the stand

56 metric (LC-MS/MS) analysis revealed that the retention times and mass spectral properties of syntheti

57 glycan structures by matching their observed retention times and masses with standardized values in r

58 lpha, 5iPF2 VI, and PGF2alpha based on their retention times and MS/MS spectral comparison with stand

59 identified by comparison with pure standard retention times and UV spectra.

60 atability values (RSD %) were 0.26-0.41% for retention time, and 2.25-2.11% for peak area.

61 y, the impacts of current density, hydraulic retention time, and feed composition on the selectivity

62 w operating voltage, high ON/OFF ratio, long retention time, and good stability.

63 p-value), fold change, mass-to-charge ratio, retention time, and intensity.

64 ature corresponds to a mass-to-charge ratio, retention time, and intensity.

65 to elemental composition, molecular weight, retention time, and ionization in positive and/or negati

66 DBle database, which contains accurate mass, retention time, and MS/MS fragmentation data as well as

67 rary of 85 hydroxyl compounds containing MS, retention time, and MS/MS information was constructed fo

68 oved removal efficiency, shortened hydraulic retention time, and substantially enhanced stability, co

69 ke of the reference standards and using m/z, retention time, and the confirmation of at least two fra

70 were confirmed using LC-MS/MS based on their retention times, and characteristic isotope patterns of

71 concentration of parent compounds, hydraulic retention times, and chlorine contact times.

72 (RSD) lower than 0.83% for the (1)D and (2)D retention times, and determination coefficients higher t

73 patterns, adduct formation, chromatographic retention times, and fragmentation patterns).

74 tron impact mass spectrometry fragmentation, retention times, and library searching.

75 e a wide range of memory states, long memory retention times, and protection against unavoidable nois

76 ween chromatography well-resolved isomers as retention times are not taken into account.

77 andard-flow LC, making it challenging to use retention time as a point of identification in a forensi

78 We show that adding the retention time as a third dimension improves the resolut

79 t among these issues is the drift in analyte retention time as liquid chromatography (LC) columns wea

80 l separations with a concomitant decrease in retention times, as predicted by the qualitative test.

81 (TIC) into several windows of usually equal retention time, averaging the signal of each window to c

82 n structures using their accurate masses and retention times based on a glycan library.

83 branched alkanes and cyclic compounds) in 11 retention-time-based bins.

84 method was identified the one with a shorter retention time, better resolution, and greater peak heig

85 f larger land area, but increasing hydraulic retention time by adding ponds in series yielded greater

86 The charge retention time can maintain over 100 000 s.

87 two-dimensional gas chromatography (GC x GC) retention times can be used to predict 26 relevant prope

88 nt to automatically correct the variation in retention times captured by a routine reference standard

89 ions are used along with intensity profiles, retention time characteristics, mass defect, and isotope

90 DIAL 4), a comprehensive lipidome atlas with retention time, collision cross-section and tandem mass

91 durance, high thermal stability and suitable retention time, compared to electret and organic nano-fl

92 of the FT-ICR MS (<1 Hz), a database driven retention time comparison, as commonly used for low reso

93 For species with longer retention times, complete chromatographic peaks had to b

94 omplished by a novel procedure for universal retention time correction and comparison via identificat

95 oviding initial preprocessing bulk nonlinear retention time correction at the raw data level.

96 This method exhibits good reproducibility in retention times (CVs < 3.43%) and high mass accuracy (<3

97 ated excellent resistive switching with high retention time, cyclic endurance, and low set/reset volt

98 The gas chromatography retention time data indicates that the cycloalkane ring

99 ntally acquired reverse-phase chromatography retention time dataset covering up to 80,038 small molec

100 for both the (1)D and (2)D separations, with retention time differences between experiments and simul

101 For comprehensive assessment of retention time differences between light/heavy pairs und

102 nd unlabeled peptides coelute, with relative retention time differences of less than 0.2%.

103 orated with experimental data match (overall retention time differences of less than 1%).

104 aph networks on the basis of glycan mass and retention time differences were actually N-glycopeptides

105 p models to enable prediction of delayed HIC retention times directly from sequence.

106 The DRR and drug retention time (DRT) were estimated using the Kaplan-Mei

107 ins in >1500 LC-MS runs, the SD range of the retention time during continuous operation was substanti

108 and show the complex relation of dead time, retention time, efficiency, and optimum velocity with th

109 for all sealants in the increased hydraulic retention time experiment, demonstrating the potential f

110 ntifiers with detection of features based on retention time, FAIMS dispersion field and compensation

111 s data-rich chromatograms in the form of m/z-retention time features.

112 reactor performance, such as channel height, retention time, flow rate, initial water temperature, an

113 Prediction models for CCS and HILIC retention time for 22 and 23 lipid classes, respectively

114 Another major challenge is that the observed retention time for a single metabolite can also be signi

115 prediction models that only predict accurate retention times for a specific experimental setup.

116 which interpolated high-precision, absolute retention times for all modulated peaks.

117 As columns age and differ between systems, retention times for comprehensive two-dimensional gas ch

118 ce between accurately predicted and observed retention times for each peptide as a metric to evaluate

119 ction, we developed Data-driven Alignment of Retention Times for IDentification (DART-ID).

120 The potential to resolve retention times for individual components within the com

121 ot-mean-square (RMS) residual differences in retention times for matched peaks suggests that global,

122 onship (QSRR) model was developed to predict retention times for new analytes, based only on their ch

123 The retention times for the analytes were reproducible withi

124 The data set comprised retention times for two series of organic modifier conte

125 tra were derived from spectra having similar retention time, fragmentation pattern, and the same prec

126 y COSMO-RS against experimentally determined retention times from gas chromatography-mass spectrometr

127 ccurate prediction of liquid chromatographic retention times from small-molecule structures is useful

128 l size, SN-NPM possessed superior long tumor retention time (>5days) and much higher accumulation in

129 inuous bioreactors operated at low hydraulic retention times have rarely been explored for reductive

130 gular adjustment of pond depth and hydraulic retention time (HRT) in response to seasonal changes.

131 When steady state with a hydraulic retention time (HRT) of 1 day was reached, the process a

132 S surrogate peptides and their corresponding retention times identified via data-dependent LC/MS/MS a

133 6 as a promising agent due to a longer tumor retention time in comparison with FAPI-04.

134 romising agent because of an increased tumor retention time in comparison with FAPI-04.

135 Conclusion: (111)In-DOTA-BC8 had a long retention time in liver, spleen, kidneys, and red marrow

136 We operated the MPPC with a 9 day hydraulic retention time in the anode.

137 ne coronary model but differ considerably in retention time in the vessel wall.

138 As a consequence retention times in 2 dimensions and mass spectra at vari

139 monstrate an average RSD of 1.2% for analyte retention times in consecutive trials.

140 ily distributed in the body and have shorter retention times in highly permeable organs than higher-d

141 distribution in the mass spectra, and (iii) retention times in hydrophilic interaction liquid chroma

142 ial least-squares method for predicting UPLC retention times in reversed phase mode.

143 diction of antibodies likely to have delayed retention times in the assay.

144 Wraparound peaks are compounds with retention times in the second dimension that are longer

145 Earlier studies have shown that retention times in this assay can be correlated to amino

146 e interest of Scout-MRM method regarding the retention time independency, multiplexing capability, re

147 ere tested and hierarchized (PredRet, Retip, retention time indices, and a log P model), and a nonlin

148 er, the parallel configuration provided more retention time information by which all the compounds in

149 educed molecular mass and estimated compound retention time information that can be extracted by our

150 Ret and fits calibration curves on predicted retention times instead of only on observed retention ti

151 The intertrapping column retention time is shown to be sufficiently reproducible

152 use database containing accurate m/z values, retention times, isotopic patterns, full MS, and MS/MS s

153 enerate a theoretical in-source spectrum and retention time library.

154 erun in electron ionization (EI) mode with a retention time locked method using a GC-QTOF-MS pesticid

155 K inhibitor with good selectivity, long lung retention time, low oral bioavailability, and proven eff

156 excellent reproducibility of chromatographic retention time (<0.3% coefficient of variation, CV) and

157 nd identified with UHPLC-MS by comparison of retention times, mass spectra, in-source CID spectra, an

158 etabolites positively identified by mass and retention time matches to the dansyl standard library an

159 The retention time measured at 85 degrees C is over 3 x 10(4

160 ur systematic evaluation, using the proposed retention time metric, provides insights and practical g

161 UHPLC-DAD showed retention time (min) of 1.51 (TB), 1.81 (TH), 2.30 (C) w

162 ation of single transition per compound with retention time misidentifies 30% of the targeted data an

163 is capable of the straightforward mapping of retention time models between different experimental set

164 vant chromatographic and spectroscopic data (retention time, molecular ions with the respective ion a

165 such as false discovery rate (FDR) control, retention time normalization and handling of post-transl

166 29% food waste on a COD basis, with a solids retention time of 42 days.

167 the range of 90-94% at a constant hydraulic retention time of 9 h.

168 chromatographic conditions were sought: (1) retention time of a single analyte within the range of 4

169 sted the ability of the model to predict the retention time of all the compounds.

170 ific portions of the first dimension, in the retention time of analytes, were transferred into the se

171 growth of planktonic bacteria to assess the retention time of deep-ocean water by a seamount.

172 p1 at Ser-637 on mitochondria, enhancing the retention time of Drp1 puncta on mitochondria during the

173 without the need to identify and monitor the retention time of each patient-specific M-protein.

174 ity with chemical similarity or proximity in retention time of ISs to the analyte.

175 i-states were clearly distinguishable with a retention time of over 10 years at room temperature.

176 The QSRR-DoE computed retention time of pharmaceutical test analytes and subse

177 k pair rebaudioside A and stevioside and the retention time of rebaudioside D.

178 On the other hand, FKBP52 favors the nuclear retention time of RelA, its association to a DNA consens

179 complex transition lists, regardless of the retention time of targeted surrogate peptides.

180 ted to be advection due to the low hydraulic retention time of the lake, followed by volatilization.

181 ne, were noted to have unique effects on the retention time of the peptide, offering the promise of u

182 UHPLC runtime was 3 min with retention times of (min); 0.63 (GA), 0.97 (RT), 2.00 (QT

183 E) model was developed, able to describe the retention times of a mixture of pharmaceutical compounds

184 atterns, collision energies, structures, and retention times of acylcarnitines.

185 atograms, it often is desirable to align the retention times of chromatographic features, such as ana

186 In addition, the relative retention times of multiple species within a compound cl

187 8 , 7785 ] was adapted for the prediction of retention times of N-glycopeptides separated by reversed

188 raphic alignment requires a mapping from the retention times of one chromatogram to the retention tim

189 aggregation is a reason behind reported long retention times of polymer microparticles in organisms.

190 l heating but it allowed a shortening in the retention times of several TGs in about 50% respect elut

191 Retention times of STG and BSG were found to be 10.707 m

192 ved a linear correlation between FcRn column retention times of the antibody variants and the termina

193 e retention times of one chromatogram to the retention times of the other chromatogram.

194 ection values in nitrogen ((DT)CCS(N2)), and retention times of the species found are compared to an

195 e exact masses of the molecular ions and the retention times of TPs were identified.

196 e Euclidean distance of the first and second retention times of two blobs and the Pearson's correlati

197 t chromatographic model able to describe the retention times of weak acids and bases in all possible

198 A separation repeatability (RSD in retention time) of 1.4% (n = 5) was obtained for liposom

199 ve two-dimensional (2D) separation (drift vs retention times) of naphthenic acids (NAs).

200 In addition, MRMkit learns retention time offset patterns by user-specified compoun

201 correlated with peptide molecular weight and retention time on a reversed phase LC column.

202 electrospray ionization (ESI(-)) and longer retention times on a C18 column.

203 atropselective interactions, i.e., relative retention times on chiral columns) did not predict the a

204 Their robust identification is based on retention times, on the generation of fragmentation tree

205 by day-to-day nonlinear signal drifts in LC retention time or batch effects that complicate comparis

206 mbine all pieces of evidence (e.g., expected retention times, peak shapes, isotope distributions, fra

207 lysis revealed correlation between hydraulic retention time, power and redox potential on inactivatio

208 d/base behavior, octanol/water partitioning, retention time prediction and finally toxic effects (mut

209 These techniques combined with glycopeptide retention time prediction and UHPLC-QqQ conditions optim

210 taset, we deployed a deep learning model for retention time prediction applied to small molecule anno

211 However, retention time prediction based on the experimental rete

212 echniques included mass defect filtering and retention time prediction from estimated boiling points

213 valuation of machine learning algorithms for retention time prediction is needed to find a suitable a

214 However, current approaches for retention time prediction lack sufficient accuracy due t

215 k protein database and de novo searches, the retention time prediction model permitted reduction and

216 A retention time prediction model was established using th

217 on workflow that leverages fragmentation and retention time prediction to build libraries containing

218 ical similarity scoring, random forest based retention time prediction, text-mining based false posit

219 eep learning algorithm with high accuracy in retention time prediction.

220 les strategies to generate better models for retention time prediction.

221 tributions from isomers, and to characterize retention time profiles for homologous series is shown,

222 While pure advective flow with shorter retention times promotes rapid initial carbonation, pure

223 to combine several predictors based on m/z, retention time (R(t)) prediction models, and isotope rat

224 roughout each experiment demonstrates a mean retention time relative standard deviation (RSD) of <0.3

225 We address this challenge by using retention times relative to a standard, namely, the unif

226 successive decreases in the parameter solids retention time) relative to stable operational condition

227 expansions of HSQC-spectra, HPLC parameters (retention time, relative retention factor), UV/Vis and m

228 ions by nUHPLC-nESI-TOFMS revealed excellent retention time repeatability with <1% coefficient of var

229 The retention time reported for (18)F-CDKi and (19)F-CDKi is

230 Retention times reproduced well with RSD values of 2.6%

231 erfluoroalkyl acid (PFAA) fragmentation, and retention time reproducibility among replicate extractio

232 The developed method exhibited good retention time reproducibility for over 650 injections o

233 The retention time reproducibility was very good in run-to-r

234 Good retention-time reproducibility (RSD < 0.17%) demonstrate

235 sed in the analysis, and (iii) the estimated retention-time reproducibility of the chromatographic me

236 HPLC profiles were compared for retention time, resolution, and peak heights.

237 ved chromatogram with excellent precision in retention time revealed seven vitamin E components in th

238 ent between retention times, RT, or relative retention times, RRT, and abundance ratios, AR, of chara

239 ability in terms of peak area (RSD<2.9%) and retention time (RSD<0.2%) both for standards and real sa

240 fractions (A and B) of RP-HPLC collected at retention time (RT) 24 and 28min respectively correspond

241 ts principled Bayesian frameworks for global retention time (RT) alignment and for incorporating RT e

242 revealing individual metabolomics features, retention time (rt) and mass-to-charge ratio (mz) pairs,

243 arbonyl metabolites with each containing MS, retention time (RT), and MS/MS information.

244 ers: molecular ion mass, MS/MS spectrum, and retention time (RT).

245 ignals measured in different datasets, where retention times (RT) are often not comparable or even av

246 tely, it suffers from various changes in the retention times (RT) of the same compound in different s

247 ools allow the prediction of chromatographic retention times (RT) or collision cross section (CCS) va

248 systems with relative standard deviations of retention times (RT; n = 6) typically between 2 and 5%.

249 , defined criteria for the agreement between retention times, RT, or relative retention times, RRT, a

250 little attention has been afforded to using retention times (RTs) to distinguish compounds and for l

251 (150 injections), with minimal variations of retention time (SD < +/- 0.03 min).

252 uring the separation, it does not affect the retention times, separation efficiencies, or resolutions

253 l user interface, multithreading capability, retention time shift model and reproducibility.

254 ty), due to several analytical errors (e.g., retention time shift, lack of repeatability in m/z scans

255 Restrictions in separation and retention time shifting, known from isothermal and norma

256 The retention time shifts (dHI = HI(glyco) - HI(deglyco), wh

257 e original retention and our observations of retention time shifts of gemcitabine/metabolites on PGC

258 Peptide retention time shifts upon glycosylation (dHI) vary depe

259 mation (artifacts), including background and retention time shifts.

260 osition affect reverse phase chromatographic retention times: sialic acid addition increases glycopep

261 sialic acid addition increases glycopeptide retention times significantly; replacing the N-acetylneu

262 Here we introduce the METLIN small molecule retention time (SMRT) dataset, an experimentally acquire

263 suspended solid (MLSS) concentrations, solid retention time (SRT) and dissolved oxygen (DO) concentra

264 microbial aggregates having different solids retention time (SRT) coexist in the same reactor compart

265 o allow for growth (40-50 days) and a solids retention time (SRT) that allows establishment of L-GLDA

266 ugated metabolites and analogues, (ii) solid retention time (SRT), (iii) fractions sorbed onto solids

267 ere operated at 15 degrees C at short solids retention times (SRT; 0.24-2.8 days), hydraulic contact

268 ated with 8 cycles per day and at two solids retention times (SRTs).

269 ing batch membrane bioreactor) at two solids retention times (SRTs): 20 and 5 days.

270 nding chromatographic performance, excellent retention time stability, and increased sensitivity in t

271 lopment of an in silico model to predict the retention time (t(R)) of a large Compound DataBase (CDB)

272 tent with N-oxides since the TP had a higher retention time than the precursor, a characteristic of t

273 use nanoflow LC, which has less reproducible retention times than standard-flow LC, making it challen

274 that MIG1 was enriched in species with lower retention times than those derived from the parent strai

275 20 assigned structures based on MS/MS and/or retention time to match to authenticated standards.

276 or a lipid class, standards with the closest retention time to the target analyte will be chosen.

277 inating couples [mass-to-charge ratio (m/z); retention time (tR)] and on the most intense peaks.

278 erent Soret coefficients, and thus different retention times, under identical experimental conditions

279 meters for feature selection, namely m/z and retention time values.

280 and structures and their accurately measured retention time values.

281 S/MS, in order to establish criteria for the retention time, variation tolerance, the ion ratio devia

282 , each derivatized bisphenol exhibits unique retention times vastly different from their native count

283 ptive immune responses against Ad, and blood retention time was markedly prolonged by PEGylation.

284 )(18) clusters ( n = 6, 8, 10, 12) and their retention time was noticed.

285 Solids retention time was set to 9-16 days.

286 "discontinuation due to adverse event." Drug retention time was significantly shorter when spared or

287 Both mass tolerance and difference in retention time were further used to increase the confide

288 aldehyde content and decrease of neutral red retention time were observed at 100 and 1000 mug kg(-1)

289 nt type, period, and dose of medication, and retention time were pooled using random effects, subgrou

290 nd a crescent-shaped trend was found for the retention time when the applied AC voltage was altered (

291 N-glycolyl variant leads to slightly reduced retention times, while O-acetylated sialic acid-containi

292 he method was validated in terms of relative retention time window, linearity (6-167 ug kg(-1) and 0.

293 election of the optimal set of fragments and retention time windows for target analytes in GC-SIM-MS

294 be how the method enables narrower scheduled retention time windows to be used.

295 Use of retention-time windows facilitated the chemometric recog

296 r chromatographic features such as peaks and retention-time windows.

297 This illustrated the change of analyte retention time with experimental conditions depending on

298 literature model was used to relate analyte retention time with mobile-phase pH and organic modifier

299 (2) baseline separation of two analytes with retention times within the range of 4-10 min.

300 ical separation parameters embedded in ThFFF retention times without explicit separation of linear an