Synthesis and high-resolution mass-spectral analysis of isotopically labeled 2,4,6-trinitrotoluene

1984 ◽  
Vol 29 (1) ◽  
pp. 93-97 ◽  
Author(s):  
R. Cameron Dorey ◽  
W. Robert Carper
Keyword(s):  
Spectral Analysis ◽  
High Resolution ◽  
Mass Spectral Analysis ◽  
Mass Spectral ◽  
High Resolution Mass ◽  
Resolution Mass

scholarly journals A New Cucurbitane Glycoside from Siraitia grosvenorii

2015 ◽  
Vol 10 (9) ◽  
pp. 1934578X1501000 ◽  
Author(s):  
Venkata Sai Prakash Chaturvedula ◽  
Srinivasa Rao Meneni
Keyword(s):  
High Resolution ◽  
Phytochemical Study ◽  
Mass Spectral ◽  
High Resolution Mass ◽  
Siraitia Grosvenorii ◽  
Commercial Extract ◽  
Resolution Mass ◽  
C Nmr

A systematic phytochemical study of the commercial extract of Luo Han Guo ( Siraitia grosvenorii) resulted in the isolation of an additional minor new cucurbitane glycoside, mogroside V A1 (1). The structure of the new compound was characterized on the basis of 1D (1H and 13C NMR) and 2D (COSY, HMQC, HMBC and NOESY) NMR and high resolution mass spectral (HRMS) data, as well as hydrolysis studies.

scholarly journals The structure of novel C35 pentacyclic terpenes from Acetobacter xylinum

1973 ◽  
Vol 135 (1) ◽  
pp. 133-143 ◽  
Author(s):  
Hans J. Förster ◽  
Klaus Biemann ◽  
W. Geoffrey Haigh ◽  
Neil H. Tattrie ◽  
J. Ross Colvin
Keyword(s):  
High Resolution ◽  
High Resolution Mass Spectrometry ◽  
Carbon Chain ◽  
Acetobacter Xylinum ◽  
Mass Spectrometric ◽  
Hydroxyl Groups ◽  
Mass Spectral Data ◽  
Mass Spectral ◽  
High Resolution Mass ◽  
Resolution Mass

A novel C35 terpene and its monounsaturated analogue were isolated from cultures of Acetobacter xylinum, together with traces of their C36 homologues. These substances were found to be hopane derivatives substituted by a five-carbon chain bearing four vicinal hydroxyl groups. For the parent hydrocarbon the term bacteriohopane is proposed. The elucidation of the structures utilized high-resolution mass spectrometry of the terpenes, degradation to C32 hydrocarbons and detailed mass-spectrometric comparison of these with C32 hydrocarbons synthesized from known pentacyclic triterpenes. High-resolution mass-spectral data of the terpenes are presented. N.m.r. data are in agreement with the proposed structures, which are further supported by the isolation from the same organism of 22-hydroxyhopane and derivative hopene(s).

scholarly journals High-resolution serum proteomic features for ovarian cancer detection.

2004 ◽  
Vol 11 (2) ◽  
pp. 163-178 ◽  
Author(s):  
T P Conrads ◽  
V A Fusaro ◽  
S Ross ◽  
D Johann ◽  
V Rajapakse ◽  
...  
Keyword(s):  
Ovarian Cancer ◽  
High Resolution ◽  
Sensitivity And Specificity ◽  
Mass Spectra ◽  
Spectral Feature ◽  
Low Resolution ◽  
Mass Spectral ◽  
High Resolution Mass ◽  
Process Error ◽  
Resolution Mass

Serum proteomic pattern diagnostics is an emerging paradigm employing low-resolution mass spectrometry (MS) to generate a set of biomarker classifiers. In the present study, we utilized a well-controlled ovarian cancer serum study set to compare the sensitivity and specificity of serum proteomic diagnostic patterns acquired using a high-resolution versus a low-resolution MS platform. In blinded testing sets, the high-resolution mass spectral data contained multiple diagnostic signatures that were superior to the low-resolution spectra in terms of sensitivity and specificity (P<0.00001) throughout the range of modeling conditions. Four mass spectral feature set patterns acquired from data obtained exclusively with the high-resolution mass spectrometer were 100% specific and sensitive in their diagnosis of serum samples as being acquired from either unaffected patients or those suffering from ovarian cancer. Important to the future of proteomic pattern diagnostics is the ability to recognize inferior spectra statistically, so that those resulting from a specific process error are recognized prior to their potentially incorrect (and damaging) diagnosis. To meet this need, we have developed a series of quality-assurance and in-process control procedures to (a) globally evaluate sources of sample variability, (b) identify outlying mass spectra, and (c) develop quality-control release specifications. From these quality-assurance and control (QA/QC) specifications, we identified 32 mass spectra out of the total 248 that showed statistically significant differences from the norm. Hence, 216 of the initial 248 high-resolution mass spectra were determined to be of high quality and were remodeled by pattern-recognition analysis. Again, we obtained four mass spectral feature set patterns that also exhibited 100% sensitivity and specificity in blinded validation tests (68/68 cancer: including 18/18 stage I, and 43/43 healthy). We conclude that (a) the use of high-resolution MS yields superior classification patterns as compared with those obtained with lower resolution instrumentation; (b) although the process error that we discovered did not have a deleterious impact on the present results obtained from proteomic pattern analysis, the major source of spectral variability emanated from mass spectral acquisition, and not bias at the clinical collection site; (c) this variability can be reduced and monitored through the use of QA/QC statistical procedures; (d) multiple and distinct proteomic patterns, comprising low molecular weight biomarkers, detected by high-resolution MS achieve accuracies surpassing individual biomarkers, warranting validation in a large clinical study.

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