Comparisons of MS/MS ion fragmentation spectra derived from GNPS network annotations (see Table S4 posted at ftp://massive.ucsd.edu/MSV000079151/updates/2017-06-30_aedlund_64677506/other/)

Slides:

Advertisements

Similar presentations

Figure 1  ’’   -Conglycinin Acidic Basic Glycinin Mr 123.

Advertisements

Advanced Higher Unit 3 Mass Spectrometry. Mass spectrometry can be used to determine the accurate molecular mass and structural features of an organic.

17.1 Mass Spectrometry Learning Objectives:

Supplemental Figure S1. MALDI-TOF/TOF MS analysis of mouse serum glycans. MS/MS spectra were annotated using GlycoWorkbench software which calculates the.

Evaluated Reference MS/MS Spectra Libraries Current and Future NIST Programs.

Mass Spectroscopy Mass spectroscopy is a powerful tool in organic chemistry that can be used to provide information about the molecular formula and structural.

Mass spectroscopy – learning objectives Outline the early developments in mass spectrometry. Outline the use of mass spectrometry in the determination.

Menu A gaseous sample compound is injected into the mass spectrometer.

AS 2.12 Mass spectra a. interpret fragment ion peaks in the mass spectra of simple organic compounds, eg the difference between propanal and propanone.

Combined techniques problems L.O.:  Analyse absorptions in an infrared spectrum to identify the presence of functional groups in an organic compound.

Menu We will look at some of the major peaks in the mass spectrum of butane.

Hydroxy-capric acid Metabolite 2 Hydroxy-capric acid Metabolite 3 Hydroxy-capric acid Metabolite 1 Supplemental Figure 2: GC-MS analyses of metabolites.

1tables and figures Supplementary Table 1 Genes potentially implicated in Medicago truncatula triterpenoid biosynthesis correlated with bAS NameProbeset.

STRUCTURAL DETERMINATION MASS SPECTRUM (MS) LAB 12.

Mass Spectroscopy Chapters 7, 8, and 9.

B Monoisotopic mass of neutral peptide M r (calc): Fixed modifications: Carbamidomethyl Ions score: 45 † Expect: ‡ Matches (red): 18/50.

m/z Relative abundance.

Chemical Ideas 6.5 Mass spectrometry.

A B C Figure S1. LC-MS and LC-MS/MS data on [M+H]+ ion with 837 m/z formed when MDI is reacted with oxidized glutathione. Following reactivity of MDI with.

Accelerating Research in Life Sciences

LC-MS/MS Identification of Impurities Present in Synthetic Peptide Drugs Dr Anna Meljon*, Dr Alan Thompson, Dr Osama Chahrour, and Dr John Malone Almac.

The use of cyclohexanone as a “derivatizing” reagent for the GC–MS detection of amphetamines and ephedrines in seizures and the urine B.M. El-Haj, A.M.

Agenda Welcome from the Skyline team!

Analytical techniques

Phosphopeptide sequencing by MALDI-TOF/TOF of the C-terminal tail of AtPIP2;1.A, MS/MS spectrum of singly phosphorylated 277SLGSFRSAANV287 (m/z ).

Structure Determination: Mass Spectrometry and Infrared Spectroscopy

General Overview of the module and the methods

(A) (E) (B) (C) (F) (D) Control HLM MLM Chemical synthesis M6

The mass spectrum shown above belongs to one of the isomer of pentane Determine the position of parent peak and base peak. What fragment.

(A) (E) (B) (C) (F) (D) Control HLM MLM Chemical synthesis M2 M2'

Distribution, Source, and Function of Hopanoids in the Ocean

Proteomics Informatics David Fenyő

Proteomic Approaches to Cancer Biomarkers

Interpretation of Mass Spectra I

Figure 1 Schematic representation of a typical MALDI-MSI workflow

(A) (E) (B) (C) (F) (D) Control HLM MLM Chemical synthesis M4 M4'

(E) (A) (B) (C) (F) (D) Control HLM MLM Chemical synthesis M3'' M3'''

Proteomics Informatics –

Volume 22, Issue 4, Pages (April 2015)

The molecular network of the fungal molecule asperphenamate (m/z 507

A, high resolution MS/MS spectrum (lower panel) of 1435

Flowchart of approaches employed to putatively annotate PMSs secreted from oral bacteria. Flowchart of approaches employed to putatively annotate PMSs.

Week 13 Analyse absorptions in an infrared spectrum to identify the presence of functional groups in an organic compound. Analyse molecular ion peaks and.

Hierarchical cluster analysis of reproducible parent masses (MS) representative of produced SMs from oral in vitro-grown biofilm representing >100 bacterial.

Mass Spectroscopy tutorial

Mass spectrometry for identification of coproporphyrin.

Relative quantitation of phosphopeptides from conditioned media from subtype specific breast cancer cell lines. Relative quantitation of phosphopeptides.

Top-down protein identification.

A, schematic presentation of fetuin-A domains.

MS/MS spectra of INEILSNALKR with a Lys residue modified with SUMO1 or SUMO3 remnant chains. MS/MS spectra of INEILSNALKR with a Lys residue modified with.

2D-LC-MS/MS analysis of tryptic digest of HEK293-SUMO3 cells (2 μg inj

Example of MS/MS spectrum of peptide FPTLTGFNR (hypothetical protein with signal peptide EAK88888; N77) from a protein digestion mixture prepared by labeling.

A, Absolute ion intensities of m/z 322, 922 and 1522 as function of the transfer time. A, Absolute ion intensities of m/z 322, 922 and 1522 as function.

Chromatograms, MS and MS/MS spectra obtained by LC-MS/MS (Q-TOF) of peptides from UPIII identified after Western blotting followed by on-membrane digestion.

High level view of the MAE algorithm.

Compound is first vaporized and converted into ions, which are then separated and detected. Electron Impact (EI) Mass Spectrometry 1.

Daniël Blom, Dave Speijer, Gabor E. Linthorst, Wilma G

Proteomics Informatics David Fenyő

Interpretation of Mass Spectra

The molecular network of a family of sesquiterpene lactones and the distribution of a representative molecule with an MS/MS spectrum match to alantolactone.

What I expect to see in Skyline

The MS/MS spectra and MALDI IMS distributions of mannitol and the corresponding polysaccharide containing mannitol are shown. The MS/MS spectra and MALDI.

GNPS assists in the identification of novel hpMR1 eluted ions.

MS3 for peptide identification and mapping phosphorylation sites

ASPP2 hydroxylation is detectable in vivo and the amount of hydroxylation depends on FIH-1 abundance. ASPP2 hydroxylation is detectable in vivo and the.

Pinene is produced in malaria parasites by de novo isoprenoid biosynthesis. Pinene is produced in malaria parasites by de novo isoprenoid biosynthesis.

Operation manual of AI SIDA

Presentation transcript:

Comparisons of MS/MS ion fragmentation spectra derived from GNPS network annotations (see Table S4 posted at ftp://massive.ucsd.edu/MSV000079151/updates/2017-06-30_aedlund_64677506/other/) and from the GNPS library of benchmarked compounds. Comparisons of MS/MS ion fragmentation spectra derived from GNPS network annotations (see Table S4 posted at ftp://massive.ucsd.edu/MSV000079151/updates/2017-06-30_aedlund_64677506/other/) and from the GNPS library of benchmarked compounds. The x axis shows fragment ion peaks (m/z), and the y axis shows the percentage of relative abundance MS/MS ion fragment intensity. (a) MS/MS ion spectra showing major matching ion peaks for platelet activating factor (PAF) (parent mass for growth extract spectrum, m/z 524.368 to 534.378; parent mass for GNPS bronze spectrum, PAF, m/z 524.371) and the PAF precursor lyso-PAF (parent mass for growth extract spectrum, m/z 482.362; parent mass for GNPS bronze spectrum lyso-PAF, m/z 482.36). (b) MS/MS ion spectra showing major matching ion peaks for 1-methyladenosine (parent mass for growth extract spectrum, m/z 282.120 to 282.122; parent mass for GNPS bronze spectrum 1-methyladenosine, m/z 282.12). (c) MS/MS ion spectra showing major matching ion peaks for N-acetylserotonin (parent mass for growth extract spectrum, m/z 219.112 to 219.114; parent mass for GNPS gold spectrum N-acetylserotonin, m/z 282.12). (D) MS/MS ion spectra showing major matching ion peaks for 3-indolepropionic acid (parent mass for growth extract spectrum, m/z 190.085 to 190.087; parent mass for GNPS bronze spectrum 3-indolepropionic, m/z 219.085). Anna Edlund et al. mSystems 2017; doi:10.1128/mSystems.00058-17