scholarly journals Investigation of Chemical Profiles of Different Parts of Morus alba Using a Combination of Molecular Networking Methods with Mass Spectral Data from Two Ionization Modes of LC/MS

Plants ◽  
2021 ◽  
Vol 10 (8) ◽  
pp. 1711
Author(s):  
Seong Yeon Choi ◽  
Jinyoung Park ◽  
Juyeol Kim ◽  
Jiho Lee ◽  
Heejung Yang
Keyword(s):  
Secondary Metabolites ◽  
Physicochemical Properties ◽  
Spectral Data ◽  
Morus Alba ◽  
Single Plant ◽  
Mass Spectral Data ◽  
Molecular Networking ◽  
Mass Spectral ◽  
Chemical Profiles ◽  
Different Parts

Plants produce numerous secondary metabolites with diverse physicochemical properties. Because different parts of a single plant produce various components, several spectroscopic methods are necessary to inspect their chemical profiles. Mass spectral data are recognized as one of the most useful tools for analyzing components with a wide range of polarities. However, interpreting mass spectral data generated from positive and negative ionization modes is a challenging task because of the diverse chemical profiles of secondary metabolites. Herein, we combine and analyze mass spectral data generated in two ionization modes to detect as many metabolites as possible using the molecular networking approach. We selected different parts of a single plant, Morus alba (Moraceae), which are used in the functional food and medicinal herb industries. The mass spectral data generated from two ionization modes were combined and analyzed using various molecular networking workflows. We confirmed that our approach could be applied to simultaneously analyze the different types of secondary metabolites with different physicochemical properties.

scholarly journals Study of some properties of cyanopyridine derivatives in solutions

2015 ◽  
Vol 44 (3) ◽  
pp. 259-275
Author(s):  
Shipra Baluja ◽  
Jagdish Movalia
Keyword(s):  
Refractive Index ◽  
Physicochemical Properties ◽  
Spectral Data ◽  
1H Nmr ◽  
Mass Spectral Data ◽  
Mass Spectral

<p>Some new cyanopyridine derivatives have been synthesized and their characterization was done by IR, 1H NMR and mass spectral data. Further, some physicochemical properties such as density, refractive index, conductance etc. have been studied for these synthesized compounds, in different solvents at 308.15 K.</p>

scholarly journals Green Synthetic Protocol for (E)-1-Aryl-3-(2-morpholinoquinolin- 3-yl)prop-2-en-1-ones and Their Antimicrobial Activity

2019 ◽  
Vol 31 (9) ◽  
pp. 1895-1898
Author(s):  
Relangi Siva Subrahmanyam ◽  
Venkateswara Rao Anna
Keyword(s):  
Antimicrobial Activity ◽  
Spectral Data ◽  
1H Nmr ◽  
13C Nmr ◽  
Mass Spectral Data ◽  
In Vitro Antimicrobial Activity ◽  
Mass Spectral ◽  
Fungal Organisms

We report here an easy, efficient and green synthetic protocol for the (E)-1-aryl-3-(2-morpholinoquinolin-3-yl)prop-2-en-1-ones by the Claisen-Schmidt condensation of 2-morpholinoquinoline-3-carbaldehyde and different substituted acetophenones by using 1-butyl-3-methylimidazolium tetrafluoroborate (Bmim)BF4. The compounds were characterized by using 1H NMR, 13C NMR and mass spectral data and screened there in vitro antimicrobial activity against different bacterial and fungal organisms.

scholarly journals N-(2-(1H-Indol-3-yl)ethyl)-2-(6-methoxynaphthalen-2-yl)propanamide

Molbank ◽  
10.3390/m1187 ◽  
2021 ◽  
Vol 2021 (1) ◽  
pp. M1187
Author(s):  
Stanimir Manolov ◽  
Iliyan Ivanov ◽  
Dimitar Bojilov
Keyword(s):  
Spectral Data ◽  
13C Nmr ◽  
Title Compound ◽  
High Yield ◽  
Mass Spectral Data ◽  
Mass Spectral

The title compound was obtained in high yield in the reaction between tryptamine and naproxen. The newly synthesized naproxen derivative was fully analyzed and characterized via 1H, 13C-NMR, UV, IR, and mass spectral data.

scholarly journals (1R,4S,5S)-5-((3-Hydroxypropyl)amino)-4-((1-Methyl-1H-tetrazol-5-yl)thio)Cyclopent-2-en-1-ol

Molbank ◽  
10.3390/m1199 ◽  
2021 ◽  
Vol 2021 (2) ◽  
pp. M1199
Author(s):  
Milene A. G. Fortunato ◽  
Filipa Siopa ◽  
Carlos A. M. Afonso
Keyword(s):  
Spectral Data ◽  
13C Nmr ◽  
Ring Opening ◽  
Environmentally Friendly ◽  
Mass Spectral Data ◽  
Mass Spectral ◽  
Excellent Yield ◽  
Ring Opening Reaction ◽  
Nucleophilic Ring Opening

Using environmentally friendly conditions, the nucleophilic ring-opening reaction of 6-azabicyclo[3.1.0]hex-3-en-2-ol with 1-methyl-1H-tetrazole-5-thiol provided a novel thiol-incorporated aminocyclopentitol, (1R,4S,5S)-5-((3-hydroxypropyl)amino)-4-((1-methyl-1H-tetrazol-5-yl)thio)cyclopent-2-en-1-ol, in excellent yield (95%). The newly synthesized compound was analyzed and characterized via 1H, 13C-NMR, HSQC, and mass spectral data.

The NIH/EPA mass spectral data base and search system

1983 ◽  
Vol 47 ◽  
pp. 313-316 ◽  
Author(s):  
S.R. Heller ◽  
W.L. Budde ◽  
D.P. Martinsen ◽  
G.W.A. Milne
Keyword(s):  
Data Base ◽  
Spectral Data ◽  
Mass Spectral Data ◽  
Search System ◽  
Mass Spectral

Mass spectral data for gas chromatograph-mass spectral identification of some irregular monoterpenes

1976 ◽  
Vol 21 (4) ◽  
pp. 500-502 ◽  
Author(s):  
William W. Epstein ◽  
Lawrence R. McGee ◽  
C. Dale Poulter ◽  
Larry L. Marsh
Keyword(s):  
Spectral Data ◽  
Gas Chromatograph ◽  
Mass Spectral Data ◽  
Mass Spectral ◽  
Spectral Identification

Computational proteomics: Integrating mass spectral data into a biological context

2015 ◽  
Vol 129 ◽  
pp. 1-2
Author(s):  
Paulo C. Carvalho ◽  
Gabriel Padron ◽  
Juan J. Calvete ◽  
Yasset Perez-Riverol
Keyword(s):  
Spectral Data ◽  
Mass Spectral Data ◽  
Computational Proteomics ◽  
Mass Spectral ◽  
Biological Context

scholarly journals Binuclear Rhenium and Manganese Carbonyl Compounds Containing Hetero-Mercaptanes

2012 ◽  
Vol 25 (1) ◽  
pp. 62-70 ◽  
Author(s):  
Md Anwarul Hoque ◽  
Md Arzu Miah ◽  
Md Nurul Abser ◽  
Abul K Azad ◽  
Kamrun N Khan ◽  
...  
Keyword(s):  
Ambient Temperature ◽  
Spectral Data ◽  
1H Nmr ◽  
Metal Atom ◽  
Carbonyl Compounds ◽  
Chemical Society ◽  
Mass Spectral Data ◽  
Heterocyclic Ligands ◽  
Mass Spectral ◽  
Manganese Carbonyl

Treatment of 2-Mercaptothiazoline, 2-Mercaptobenzimidazole, 2-Mercapto-1- methylimidazole with [M2(CO)10] (M = Re and Mn) at ambient temperature in presence of decarbonylating reagent Me3NO give the complexes [Mn2(?-?2-C3H4NS2)2(CO)6] (1), [Re2(?-?2-C3H4NS2)2(CO)6] (2), [Mn2(?-?2-C7H5SN2)2(CO)6] (3), [Re2(?-?2- C7H5SN2)2(CO)6] (4), [Re2(?-?2-C4H5N2S)2(CO)6] (5) and [Re2(?1-C4H5N2SH)(CO)9] (6) respectively. All the compounds have been characterized by IR, 1H NMR and mass spectral data. The heterocyclic ligands are expected to be coordinated to two or single metal atom through the nitrogen and sulfur atoms or via only sulfur atom.DOI: http://dx.doi.org/10.3329/jbcs.v25i1.11775 Journal of Bangladesh Chemical Society, Vol. 25(1), 62-70, 2012> 

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