ライフサイエンスコーパス: mass spectra

1 ential window acquisition of all theoretical mass spectra).

2 n is to directly compare unidentified tandem mass spectra.

3 can be accessed from high-resolution tandem mass spectra.

4 variants were identified in the deconvoluted mass spectra.

5 peak assignment process in the processing of mass spectra.

6 MS in negative ion mode to obtain glycolipid mass spectra.

7 ilitating the interpretation of the acquired mass spectra.

8 protein signals are observed in single scan mass spectra.

9 atly facilitate analysis of ion mobility and mass spectra.

10 um adduction on protein ions in positive ion mass spectra.

11 ng metabolite intensity information from raw mass spectra.

12 g of images, quantitative color changes, and mass spectra.

13 ation were varied to determine the effect on mass spectra.

14 e ternary complex, are reflected in the UVPD mass spectra.

15 line measurement of thousands of single cell mass spectra.

16 tely performed for positive and negative ion mass spectra.

17 ved in direct infusion positive ion mode ESI mass spectra.

18 irmed in both the cases by measuring the ESI mass spectra.

19 t with phospholipase C resulted in clear-cut mass spectra.

20 lidation and are backed with high-resolution mass spectra.

21 me, including the validation of the obtained mass spectra.

22 identification (CSI) of isomers with similar mass spectra.

23 ions based on the intensities of ions in the mass spectra.

24 fusion strategy of positive and negative ion mass spectra.

25 the mass shifts observed in the deconvoluted mass spectra.

26 oforms, as indicated by both peak shapes and mass spectra.

27 /y, a, and c/z fragment ion series in tandem mass spectra.

28 n of MALDI matrix peaks from MALDI-ISD FTICR mass spectra.

29 encing based on their high-resolution tandem mass spectra.

30 ons for quantification, which can complicate mass spectra.

31 signals of the Au clusters decreased in the mass spectra.

32 med according to their retention indexes and mass spectra.

33 eptides across conditions to existing tandem mass spectra.

34 structures were all deduced from the tandem mass spectra.

35 of diagnostic ions seen in the in-line O3-MS mass spectra.

36 dual flavonoids in each class based on their mass spectra.

37 plasma emission is examined and compared to mass spectra.

38 nt rather than multiple fragment ions in the mass spectra.

39 , have been previously tested on millions of mass spectra.

40 ficant improvements in the resulting protein mass spectra.

41 les to compare isotopic distributions in the mass spectra.

42 d reducing adduct formation in the resulting mass spectra.

43 al library matching using publicly available mass spectra.

44 metabolic fingerprints and their associated mass spectra, a mathematical filter based on mass isotop

45 The mass spectra acquired by ESI FT-ICR MS of untreated, bor

46 It is also not directly applicable to mass spectra acquired in the absorption mode with remove

47 as designed to search high-resolution tandem mass spectra acquired on time-of-flight or Orbitrap mass

48 gnal deconvolution (OSD), (iii) alignment of mass spectra across samples, (iv) missing compound recov

49 modifications, by searching top-down tandem mass spectra against a protein database.

50 ntify multiple coisolated peptides in tandem mass spectra allowing for their quantification.

51 The mass spectra also indicate the isocitrate dehydrogenase

52 n of the compounds was based on deconvoluted mass spectra and comparison of linear retention indices

53 s based on the combined analysis of multiple mass spectra and evaluation of a collection of hypotheti

54 in all honey samples by their characteristic mass spectra and fragmentation pattern.

55 Both mass spectra and GC retention times are matched to those

56 owerful tool for increasing charge states in mass spectra and generating unfolded ion structures, yet

57 Mass spectra and grain dynamics suggest the presence of

58 tissue areas of interest, and for processing mass spectra and images.

59 rapid, robust, and flexible deconvolution of mass spectra and ion mobility-mass spectra with minimal

60 to these analytes include the first reported mass spectra and lipid stoichiometries of intact Nanodis

61 s spectra, for example, complicated multimer mass spectra and norovirus capsid mass spectra at differ

62 s of the TPs was achieved by a comparison of mass spectra and nuclear magnetic resonance (NMR) spectr

63 Because of the complexity of top-down mass spectra and proteoforms, it is a challenging proble

64 isotopically resolved molecular ion peaks in mass spectra and provide diverse information when examin

65 len lipids by matching acquired pollen-lipid mass spectra and retention times with the NIST/EPA/NIH m

66 pacity for the LS-APGD to affect both atomic mass spectra and structurally significant spectra for or

67 e large-scale acquisition of high-resolution mass spectra and tandem mass spectra from a collection o

68 biological matrices is the complexity of the mass spectra and therefore the difficulty to specificall

69 Here, we report mass spectra and useful ion yields (ratio of intact char

70 procedure was evaluated with 30 experimental mass spectra and was found to effectively identify the p

71 underacylated peptides were detected in the mass spectra, and even mutations that prevented generati

72 eneration of fragmentation trees from tandem mass spectra, and on the comparison of these parameters

73 aspartic acid, was also observed in the DESI mass spectra, and these data further assisted in discrim

74 During HRF, high-resolution mass spectra are assigned putative identifications throu

75 The resulting tandem mass spectra are composite, containing fragments from mu

76 The product mass spectra are different from what are obtained from e

77 APCI mass spectra are dominated by the molecular ion cluster,

78 ng, but the software tools to analyse tandem mass spectra are lagging behind.

79 Mass spectra are obtained from all the polymers in the n

80 However, mass spectra are often prohibitively complex when fragme

81 In the era of big data biology, tandem mass spectra are often searched against huge protein dat

82 It is demonstrated that single microdroplet mass spectra are recordable, one at a time, for methanol

83 However, top-down mass spectra are substantially more complex than convent

84 e aerosol chemical speciation monitor (ACSM) mass spectra are widely used to quantify organic aerosol

85 study, we introduced power nomination of the mass spectra as a method for systematically altering the

86 , further supporting the assignment of BioSS mass spectra as microbes.

87 task of annotating and evaluating in-source mass spectra as obtained from typical full-scan experime

88 Databases used in these CSI do not contain mass spectra, as in the case of a library search, but a

89 of importance to automate preprocessing raw mass spectra, assigning ion series to peaks and decipher

90 d multimer mass spectra and norovirus capsid mass spectra at different levels of desolvation, are ana

91 Having thus obtained accurate mass spectra at high resolution, we found that natural i

92 sequence retention times in 2 dimensions and mass spectra at variable ionization energies are shown t

93 ning structures of isomers with very similar mass spectra based on ORD, LCOR, and their coupling were

94 probable structures corresponding to similar mass spectra belonging to a group with dozens of isomers

95 escription of a population of biological SSA mass spectra (BioSS), which closely match the ion signat

96 sed on the computational querying of shotgun mass spectra by LipidXplorer software.

97 noise filter), (iii) generation of composite mass spectra by multiple similar spectrum signal summati

98 rovide a complete interpretation of observed mass spectra by the Cassini instruments from small to la

99 Molecular mass spectra can be obtained from the same source by sim

100 The consequent isotopic envelopes in mass spectra can reveal the ion stoichiometry but not ge

101 , due to the complexity and diversity of ETD mass spectra compared to CID counterparts.

102 Spectrophotometric titrations as well as ESI mass spectra confirmed the binding of two silver ions pe

103 Extracted mass spectra confirmed the presence of two disaccharide

104 ccurs in the fraction of individual particle mass spectra containing magnesium, organic nitrogen, and

105 rbitrap XL instrument, isotopically resolved mass spectra could be acquired.

106 metabolite features with simultaneous tandem mass spectra data acquisition.

107 ition to mzML, it also supports other common mass spectra data formats: dta, ms2, mgf, pkl, apl (text

108 n seaweeds, such as GC-MS coupled to a novel mass spectra database supported by the simultaneous use

109 ion of positive and negative ionization mode mass spectra derived from fast polarity switching, and (

110 eparated (GC x GC/MS), allowing high-quality mass spectra (EI) to be obtained for the individual comp

111 putational prediction of electrospray tandem mass spectra (ESI-MS/MS), but unlike CFM-ESI, CFM-EI can

112 of solution mixtures often generates complex mass spectra, even following liquid chromatography (LC),

113 ride glucose and several larger glycans, the mass spectra exhibit good analyte ion intensities and si

114 hot elemental ions, while the corresponding mass spectra exhibit the formation of intact molecular s

115 Using the tandem mass spectra extracted by RawConverter with corrected m/

116 ccurate mass measurements of the ions in the mass spectra extracted from these fractions enabled conc

117 sociated substructures, while the absence of mass spectra features does not necessarily imply the abs

118 In total, mass spectra for 254,235 individual pixels were evaluate

119 harged ions of m/z 600-2700 produced similar mass spectra for both elevator and straight (linear moti

120 Clean, low noise mass spectra for each model protein were obtained.

121 om tandem (liquid chromatography (LC)-MS/MS) mass spectra for glycan identification, and reporter ion

122 t can be used to deconvolve highly congested mass spectra for heterogeneous ion populations with repe

123 d in this work has for generating simplified mass spectra for MS/MS analyses.

124 This demonstrates the possibility to measure mass spectra for neutral particles.

125 + H](+) and M(+*) dominate the positive-ion mass spectra for olefins and polyaromatic hydrocarbons,

126 Similar mass spectra for protein complexes were obtained by PS i

127 scanning relies upon high-resolution tandem mass spectra for targeted protein quantification, incorp

128 The EI mass spectra for these isomers show a number of unique i

129 Expanded mass spectra for this and related ions were in excellent

130 Mass spectra for xenon, 2-chloroethyl ethyl sulfide (CEE

131 Moreover, less well-resolved mass spectra, for example, complicated multimer mass spe

132 e show platform independence by using tandem mass spectra from 40 different mass spectrometer types i

133 A library of glycolipid mass spectra from 50 microbial entries was developed tha

134 n of high-resolution mass spectra and tandem mass spectra from a collection of metabolite standards c

135 Positive matrix factorization analysis of OA mass spectra from an aerosol mass spectrometer resolved

136 fication by comparing tandem high-resolution mass spectra from breath and standards.

137 y built by acquiring experimentally measured mass spectra from chemical reference compounds.

138 atedly to allow for comparison of the tandem mass spectra from each separated isomer, which contrasts

139 The mass spectra from experiments show peak widths (fwhm) in

140 for lipid separations and the convolution of mass spectra from isomeric and isobaric species.

141 nchmarked using four sets of standard tandem mass spectra from MassBank.

142 d a statistical approach to evaluate 177,727 mass spectra from samples with complex, mixed histology,

143 striking resemblance is revealed between the mass spectra from the chamber experiments with oxidized

144 Fourier Transform Ion Cyclotron Resonance mass spectra (FT-ICR-MS) of natural organic matter are c

145 20 Fourier transform ion cyclotron resonance mass spectra (FTICR-MS) of ultrafiltered dissolved organ

146 On the basis of the mass spectra generated by electron impact (EI) and elect

147 The mass spectra generated by the approach in this work are

148 The mass spectra generated from dried and aqueous protein sa

149 So far, the automation of preprocessing raw mass spectra has not been accomplished; Massign was intr

150 anging coverage on time-of-flight (TOF)-SIMS mass spectra has not been investigated.

151 s analysis (TG-DSC-FTIR) and High-resolution mass spectra (HRMS).

152 were the predominant species observed in the mass spectra in both the negative and positive ion modes

153 lem to efficiently interpret top-down tandem mass spectra in high-throughput proteome-level proteomic

154 tudies comprised acquisition of positive ion mass spectra in predetermined m/z ranges.

155 served in nano-electrospray ionization (ESI) mass spectra in the absence of bulk solvent.

156 Comparison of mass spectra in the two systems reveals similar features

157 h UHPLC-MS by comparison of retention times, mass spectra, in-source CID spectra, and enzymatic hydro

158 ty of the signal for the [Pb](+) ions in the mass spectra increased when the Au NPs-MCEM reacted with

159 automated procedure for the robust automated mass spectra interpretation and chemical formula calcula

160 The analysis of numerically modeled Dol mass spectra is a novel method to follow modulation of t

161 Interpretation of mass spectra is challenging because they report a ratio

162 ental analysis of unit-mass resolution (UMR) mass spectra is limited by the amount of information ava

163 ic fragmentation patterns of electron impact mass spectra is proposed.

164 broad intensity ranges of components in the mass spectra, it is imperative to accurately determine a

165 Acquisition of All Theoretical Fragment Ion Mass Spectra) mass spectrometric acquisitions were perfo

166 an automated tool we designed for exhaustive mass spectra matching, the promiscuity of binding of cis

167 Organic mass spectra measured by the ACSM were analyzed by posit

168 sitive and negative-ion full-scan and tandem mass spectra measured with high mass accuracy and high r

169 t-secondary ion mass spectrometry (TOF-SIMS) mass spectra measurements combined with an appropriate s

170 ata analysis affects the calculated OA mass, mass spectra, molecular oxygen-to-carbon ratio (O/C), an

171 cquisition of multireflection time-of-flight mass spectra (MR-TOF MS).

172 The resultant MALDI-ISD mass spectra (MS after APS --> MALDI-ISD MS) are almost

173 By combining ultra-high resolution (UHR) mass spectra (MS(1)), mass errors to theoretical [TBPH-B

174 tep can be aided by matching acquired tandem mass spectra (MS(2)) against reference library spectra a

175 in metabolomics by matching measured tandem mass spectra (MS/MS) against the predicted fragments of

176 sequencing based on matched pairs of tandem mass spectra (MS/MS) obtained by collision induced disso

177 interpretation of the large number of tandem mass spectra (MS/MS) obtained in metabolomics experiment

178 cy to their respective genus or family using mass spectra (n = 284).

179 most of the aldehyde and ketone photoproduct mass spectra observed from the aqueous phase were determ

180 Photodissociation mass spectra obtained at wavelengths ranging from 310 to

181 Mass spectra obtained from DART were processed with the

182 Mass spectra obtained from fractions were collected alon

183 sidue on Si surfaces, where the positive ion mass spectra obtained were consistent with the major com

184 cal method for the elemental analysis of UMR mass spectra of a complex organic aerosol through the us

185 f 122 carbonylated compounds from the tandem mass spectra of a single shotgun analysis acquired withi

186 lysis successfully extracted 11 factors from mass spectra of about 700,000 particles as a complement

187 dimers (10 Si atoms/molecule) dominated the mass spectra of aerosols at higher mass loadings, while

188 er 5 nor 10 Si atoms/molecule) dominated the mass spectra of aerosols at lower mass loadings.

189 nal tool called "HI-bone" and by identifying mass spectra of an Escherichia coli sample acquired on a

190 addresses these limitations for analysis of mass spectra of complex molecular mixtures.

191 presenting to our knowledge the first native mass spectra of cysteine-linked ADCs from an in vivo sou

192 The obtained mass spectra of five pure polycyclic aromatic hydrocarbo

193 Scoring algorithms are presented for tandem mass spectra of glycopeptides resulting from collision-i

194 The analysis of mass spectra of human bladder cells allows one to find a

195 Crucially, high quality mass spectra of individual droplets were obtained from e

196 Here, we present high-resolution mass spectra of ion clusters observed during new particl

197 m/z peaks and higher intensity peaks in the mass spectra of labeled samples relative to the unlabele

198 Electrospray ionization mass spectra of lanthanide coordination complexes were m

199 ic and isobaric PC and PE cations present in mass spectra of lipid mixtures.

200 MS display many similar ion peaks, as do the mass spectra of membrane grown biofilms of Pseudomonas a

201 a new method, based on numerical modeling of mass spectra of metabolically labeled dolichols (Dols),

202 imilar to kV PS and nESI, differences in the mass spectra of mixtures are interpreted in terms of the

203 ominated DBPs at a relative abundance in the mass spectra of more than 1%.

204 We tested the tool on two sets of tandem mass spectra of N-linked glycopeptides cell lines acquir

205 stigates factors controlling single particle mass spectra of nascent supermicron SSA.

206 However, the intact mass spectra of new ADCs, which incorporate new types of

207 dentified as acetyl derivatives by MALDI-TOF mass spectra of oligonucleotides and by detection of mod

208 smears by comparison with a library of DESI mass spectra of pathologically determined tissue types.

209 The mass spectra of proteins from the online HIC-MS exhibit

210 ssure photoionization (LAAPPI) and LDTD-APPI mass spectra of sage leaves (Salvia officinalis) using a

211 deconvolving soft ionization high-resolution mass spectra of SCCP mixtures.

212 Resulting mass spectra of small amino acids and large antibiotics

213 nnotations using 19 329 accurate mass tandem mass spectra of structurally known compounds from the NI

214 s are identified from the spatially resolved mass spectra of the ablated plant material, including ni

215 A comparison of the single cell mass spectra of the cells sampled under the two conditio

216 The mass spectra of the different samples show several thous

217 es of ion series in the well-resolved tandem mass spectra of the hepatitis B virus (HBV) capsids and

218 Mass spectra of the intact ATPase define a stable lipid

219 This technique produces two signature mass spectra of the same cross-linked peptide, thereby p

220 Comparative analysis of acquired mass spectra of the two groups yielded 30 differential p

221 However, mass spectra of these ions are often highly congested, o

222 ESI mass spectra of these systems agree poorly with theoreti

223 lso demonstrate how the UV and fragmentation mass spectra of unknown chemical components of a mixture

224 To this end, the mass spectra of unlabeled metabolites measured in two me

225 urring patterns in the corresponding peptide mass spectra of V gene peptides, greatly complicating th

226 naturally occurring isotopes, or overlapping mass spectra of various components of the cell culture m

227 s that assign peptides to shotgun proteomics mass spectra often discard identified spectra deemed irr

228 iopromide used, cursory inspection of UV and mass spectra only revealed four TPs in the chromatograms

229 the mapping of the interpretation of tandem mass spectra onto the analysis of the equilibrium distri

230 examination of independently acquired tandem mass spectra or by combination with another technique.

231 matically learn from and then interpret UVPD mass spectra, passing results to a hidden Markov model f

232 Furthermore, the APCI-MS mass spectra pattern indicated that the average molecula

233 The lipid information in the negative ion mass spectra proved useful for species level differentia

234 These mass spectra provide direct information on tumor infiltr

235 We describe a mass spectra recalibration method, which enables analysi

236 esults demonstrate that bacterial glycolipid mass spectra represent chemical barcodes that identify p

237 e of these effects, antibody-derived peptide mass spectra require increased stringency in their inter

238 Pearson's correlation coefficient of the two mass spectra, respectively.

239 graphy-olfactometry and identified via their mass spectra, retention indices on two columns with diff

240 Comparison of laser-on and laser-off mass spectra reveals the laser-initiated photochemical p

241 The 2D mass spectra showed useful fragmentation patterns of pep

242 th putative erythrocyte remains that exhibit mass spectra similar to emu whole blood.

243 rizing the quantitative information from the mass spectra, statistical modeling, and model-based anal

244 Mean number of mass spectra, statistically significant differentially e

245 the "N sigma" approach cannot be applied to mass spectra stored with partially removed noise (reduce

246 Seasonal variation observed in HMTD mass spectra suggested a humidity dependence.

247 (CAS)-like NOM were selectively enriched in mass spectra, suggesting that such components do not rea

248 The distribution of peaks in the mass spectra suggests that there are extensive cross-cou

249 Mass spectra supported the capture by MR1 of 5-OP-RU and

250 mograms, aerosol and electrospray ionization mass spectra, surface activity, and hygroscopicity.

251 ential Window Acquisition of all Theoretical Mass Spectra (SWATH-MS), permit reproducible large-scale

252 We present mass spectra taken by the Ptolemy instrument 20 minutes

253 ty of in-silico or computer generated tandem mass spectra that are directly obtained from compound st

254 ere we outline sources of peak degeneracy in mass spectra that are not annotated by current approache

255 aminophen (APAP) and (13)C6-APAP resulted in mass spectra that contained "twin" ions for drug metabol

256 The complex mass spectra that result from gas-phase dissociation wer

257 unambiguously identify analyte peaks in the mass spectra, the sample was also run at time-consuming

258 states of proteins, allowing decongestion of mass spectra through separation of overlapping species.

259 The pipeline interrogates tandem mass spectra to find signatures of the Cys34-containing

260 ility to rapidly match the identified tandem mass spectra to the gene clusters responsible for the bi

261 the rapid Bayesian probabilistic matching of mass spectra to their corresponding biosynthetic gene cl

262 orrection of immunosequencing reads and uses mass spectra to validate the constructed antibody repert

263 ic ions from the electron ionization (EI)-MS mass spectra, to the corresponding relative intensities.

264 The stability diagram and mass spectra using boundary ejection were compared betwe

265 vo amino acid strings derived from the given mass spectra using the recently proposed Twister approac

266 to allow for the simultaneous acquisition of mass spectra via Fourier transform (FT) techniques (freq

267 ase the accuracy of mass assignments of UVPD mass spectra via resonance ejection of undissociated pre

268 erature and collecting data-dependent tandem mass spectra was also demonstrated.

269 etween precursor and fragment ions in the 2D mass spectra was more accurate than in MS/MS spectra aft

270 Each series of mass spectra was subjected to partial least squares-disc

271 shotgun spectral matching of peptide tandem mass spectra, was successfully applied to the identifica

272 rect analysis in real time (DART) ionization mass spectra were acquired at a range of humidity values

273 Mass spectra were acquired using the Vitek MS system and

274 In situ mass spectra were directly recorded from the adsorbent u

275 Quality of SWATH-generated mass spectra were evaluated with regard to mass error, r

276 y distinguished from another by positive ion mass spectra were included in the analysis.

277 n of organic additives, and the negative ion mass spectra were more consistent with explosive content

278 Complex and clearly distinct organic mass spectra were obtained from atmospheric measurements

279 has been used for TOF-SIMS measurements, and mass spectra were obtained using a Bi3(+) primary ion be

280 MS and MS/MS mass spectra were performed using a MALDI TOF/TOF 4800 A

281 e interface (HPTLC-DART-MS), whereas ex situ mass spectra were recorded using an elution head-based i

282 aracterisation of unknown anthocyanin zones, mass spectra were recorded.

283 sucked into the mass spectrometer inlet and mass spectra were recorded.

284 Mass spectra were searched against the National Center f

285 A total of 203 mass spectra were statistically analyzed.

286 LC-ESI-MS mass spectra were successfully obtained and used to iden

287 ESI-ion mobility mass spectra were successfully obtained for both {Mo200C

288 clic aromatic hydrocarbons, nicotine) in the mass spectra were used to assign PMF factors to biomass

289 (+), were successfully detected on the FAPCI mass spectra when the corresponding alkali chloride solu

290 By matching experimental mass spectra with calculated isotope distributions it is

291 ction, on the chromatographic time scale, of mass spectra with different degrees of fragment ion form

292 twenty-six components by comparison of their mass spectra with GC-MS library data.

293 e of chemical functional groups gave quality mass spectra with high signal/noise ratios and no fragme

294 convolution of mass spectra and ion mobility-mass spectra with minimal user intervention.

295 PhiSDM produces interference-free mass spectra with resolution beyond the Fourier transfor

296 y achieved by comparison of the experimental mass spectra with the theoretically digested peptides de

297 ntified by comparing the retention times and mass spectra with those of the standards and the phenoli

298 oratory methods reveals that single-particle mass spectra with weak sodium ion signals can be produce

299 at can identify twin-ions in high-resolution mass spectra without centroiding (i.e., reduction of mas

300 s been applied to analyze the whole range of mass spectra (without preselection of any particular mas