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 MS in negative ion mode to obtain glycolipid mass spectra.

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

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

6 plasma emission is examined and compared to mass spectra.

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

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

9 ct quantitative isotope signatures in tandem mass spectra.

10 ficant improvements in the resulting protein mass spectra.

11 les to compare isotopic distributions in the mass spectra.

12 d reducing adduct formation in the resulting mass spectra.

13 al library matching using publicly available mass spectra.

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

15 variants were identified in the deconvoluted mass spectra.

16 peak assignment process in the processing of mass spectra.

17 ilitating the interpretation of the acquired mass spectra.

18 protein signals are observed in single scan mass spectra.

19 atly facilitate analysis of ion mobility and mass spectra.

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

21 ng metabolite intensity information from raw mass spectra.

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

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

24 line measurement of thousands of single cell mass spectra.

25 tely performed for positive and negative ion mass spectra.

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

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

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

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

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

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

32 ccuracy of deconvoluted masses reported from mass spectra.

33 ts the fragmentation pattern observed in the mass spectra.

34 charged analytes results in distinct tandem mass spectra.

35 program for assigning peaks and interpreting mass spectra.

36 al deconvolution produces pure fragmentation mass spectra.

37 ich ~50 were characterized by quality tandem mass spectra.

38 peptides and 21 million high-quality tandem mass spectra.

39 ielding ubiquitous isotopologic envelopes in mass spectra.

40 arriers by assigning cell type directly from mass spectra.

41 ous individual protein ions to generate true mass spectra.

42 and MS/MS spectra comparison with in silico mass spectra.

43 t assignments of z' ions in MALDI-ISD FT-ICR mass spectra.

44 ces with corresponding deconvoluted fragment mass spectra.

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

46 We matched tandem mass spectra acquired by data-dependent acquisition (DDA

47 e these data and classification schemes with mass spectra acquired directly from liquid-liquid extrac

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

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

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

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

52 The mass spectra also indicate the isocitrate dehydrogenase

53 Mass spectra also show clear evidence for the growth of

54 Alignment of mass spectra among different samples prior to molecular

55 dules deal with ETD/ECD analysis, multimodal mass spectra analysis, and presentation options.

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

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

58 Mass spectra and grain dynamics suggest the presence of

59 nal-to-noise ratios of the resulting protein mass spectra and hence the number of proteins detected.

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

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

62 spatial information associated the with the mass spectra and is less sensitive to possible batch eff

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

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

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

66 ) from deconvolved GC/MS breath with similar mass spectra and retention index profiles.

67 z' ions in protein top-down MALDI-ISD FT-ICR mass spectra and show why these distributions can deviat

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

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

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

71 lished human proteomic dataset of 25 million mass spectra and tripled confident spectrum identificati

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

73 (ii) fragment intensity distribution in the mass spectra, and (iii) retention times in hydrophilic i

74 FTIR) studies, electrospray ionization (ESI)-mass spectra, and Job's plots were used to verify the me

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

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

77 analysis area, in which pixels with similar mass spectra are assigned a similar color.

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

79 The highly congested native mass spectra are deconvolved using Fourier- and Gabor-tr

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

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

82 However, mass spectra are often prohibitively complex when fragme

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

84 multiple reflection-time-of-flight (MR-TOF) mass spectra are shown to demonstrate separation in the

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

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

87 ich similar pixels-based on their associated mass spectra-are assigned a similar color.

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

89 rocarbons in vacuum yielded almost identical mass spectra as APCI involving atmospheric pressure cond

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

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

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

93 A large number of mass spectra associated with each MSI sample can represe

94 ra, similarity to openly accessible accurate mass spectra, associated metadata, and presence in a sus

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

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

97 to classify single cells according to their mass spectra based on cell groups of interest (GOI), e.g

98 by evaluating differences in pH, UV-Vis, and mass spectra before and after the search was started.

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

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

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

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

103 y and oligomerization, and additional tandem mass spectra can help to further obtain information on p

104 Mass spectra can inform regarding protein sample purity

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

106 c microbial findings from primary specimens, mass spectra captured from cultured bacterial isolates,

107 The results are visualized as virtual mass spectra, chromatograms, or images in styles new to

108 alizing their intensities in 2-D space using mass spectra collected across the tissue section.

109 dentification using approximately a thousand mass spectra collected from multi-drug-resistant bacteri

110 d by (i) chemical reference libraries (e.g., mass spectra, collision cross section, and other measura

111 ay ionization (ESI) and produce high-quality mass spectra, common components of storage solutions for

112 from higher resolution of absorption mode FT mass spectra, compared to magnitude mode, which enables

113 Extracted mass spectra confirmed the presence of two disaccharide

114 ines for deconvolution of electrospray (ESI) mass spectra containing multiple charge states and poten

115 metabolite features with simultaneous tandem mass spectra data acquisition.

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

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

118 r in OP-bread, determined according to their mass spectra, decomposed during baking and released free

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

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

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

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

123 The measured photodissociation mass spectra exhibit isoform-specific patterns, which ar

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

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

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

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

128 This approach was used to generate mass spectra for 83 plastic explosives and polymer sampl

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

130 ents while producing nearly identical tandem mass spectra for conformers, thus allowing confident ide

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

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

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

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

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

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

137 A total of 73,992 mass spectra from 71 patient samples were obtained and u

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

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

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

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

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

143 p ionization approaches produce detailed PAH mass spectra from individual particles but without the s

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

145 ng principal component analysis (PCA) of the mass spectra generated at two points during the thermal

146 The mass spectra generated from dried and aqueous protein sa

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

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

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

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

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

152 the UV detector leads to severely misleading mass spectra in typical day to day samples.

153 MasSpec Pen developed can be used to acquire mass spectra in vivo during a robotic-assisted surgery a

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

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

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

157 d other interesting features in the acquired mass spectra is a tedious and time-consuming challenge.

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

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

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

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

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

163 ays were determined by comparison of the CAD mass spectra measured for undeuterated and deuterated an

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

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

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

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

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

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

170 lysis (pLSA) is commonly applied to describe mass spectra (MS) images.

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

172 d mass accuracy and the complete product ion mass spectra (MS/MS) for compound determination with inc

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

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

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

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

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

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

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

180 The mass spectra of aerosol samples analyzed using HESI cont

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

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

183 mpare broadband and narrowband modulation 2D mass spectra of an equimolar mixture of histone peptide

184 fragments consistently detectable in tandem mass spectra of analytes and standards.

185 lassification, a reference wine data set and mass spectra of different marijuana extracts were used.

186 The resulting mass spectra of disc-prepared samples show a clean backg

187 Photodissociation mass spectra of fatty acids conjugated to 1-(3-(aminomet

188 The obtained mass spectra of five pure polycyclic aromatic hydrocarbo

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

190 Similar to UVPD mass spectra of GPL cations, UVPD of deprotonated or for

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

192 Average mass spectra of hydrocarbons from a widely used spectral

193 By recording mass spectra of individual ions via charge detection mas

194 ria on the basis of the obtained fingerprint mass spectra of intact bacteria was used as the detectio

195 hen coupled it to HPLC to obtain discernible mass spectra of key impurities and degradants.

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

197 nfluence of plasma parameters on the product mass spectra of laser-ablated particles.

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

199 outperformed sPLS-DA and SVC to classify the mass spectra of marijuana extracts with an overall accur

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 omplementary approach by comparing MALDI-TOF mass spectra of microbial membrane lipid fingerprints to

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

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

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

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

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

208 chromatographic peaks and the corresponding mass spectra of OMP were fully resolved in the presence

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

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

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

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

213 Resulting mass spectra of small amino acids and large antibiotics

214 Comparing the mass spectra of SOA formed from different precursors, we

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

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

217 rocarbon group to recreate the magnitude and mass spectra of the chromatogram.

218 The resulting mass spectra of the particles can be used to investigate

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

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

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

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

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

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

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

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

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

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

229 These mass spectra provide direct information on tumor infiltr

230 The mass spectra provided by this work may be useful for cli

231 d consequent acquisition of composite tandem mass spectra ( Pseudomonas aeruginosa), and (3) the over

232 ual representation were achieved for complex mass spectra recorded by a time-of-flight analyzer with

233 because of the reduced complexity of tandem mass spectra relative to MS(1) spectra.

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

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

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

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

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

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

240 composed of the bulk filament material with mass spectra similar to the PLA monomer spectra.

241 silico fragments to the experimental tandem mass spectra, similarity to openly accessible accurate m

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

243 Mean number of mass spectra, statistically significant differentially e

244 t products) do not work well with glycolipid mass spectra such as those produced by lipid A, the memb

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

246 matrix factorization applied to the organic mass spectra suggests that hydrocarbon-like organic aero

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

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

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

250 ential Window Acquisition of all Theoretical Mass Spectra (SWATH), is a popular label-free proteomics

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

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

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

256 ly convoluted charge-distribution profile in mass spectra, the characterization of these polymers is

257 Within the REIMS mass spectra, the lower molecular weight metabolites, su

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

259 ified in commercial products in the MeV-SIMS mass spectra through molecular and larger specific fragm

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

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

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

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

264 e majority of protonated octamer observed in mass spectra under previous conditions is formed by clus

265 s at or below the detection threshold in the mass spectra until the solution's ionic strength is elev

266 EIMS parameters and the complex lipid region mass spectra used for multivariate modeling.

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

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

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

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

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

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

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

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

275 High-resolution mass spectra were acquired in data-dependent mode using

276 Informative native-like mass spectra were collected for each charge variant peak

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

278 The mass spectra were evaluated and classified using differe

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

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

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

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

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

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

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

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

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

288 identified by searching libraries of tandem mass spectra, which offers important advantages over oth

289 re-diagnostic collision-induced dissociation mass spectra, while minimizing interferences, by sequent

290 phenylenediamine were applied that yield ISD mass spectra with different fragment ion distributions.

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

292 upon m/z analysis in an Orbitrap, proteoform mass spectra with minimal m/z peak overlap and easy-to-i

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

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

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

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

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

298 s FTC, were built and validated with 114,125 mass spectra, with accuracy assessed in correlation with

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