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38419

Supelco

α-Cyano-2,3,4,5,6-pentafluorocinnamic acid

matrix substance for MALDI-MS, ≥95.0% (HPLC)

Synonym(s):

2-Cyano-3-(2,3,4,5,6-pentafluorophenyl)-2-propenoic acid, PentaFCCA

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About This Item

Empirical Formula (Hill Notation):
C10H2F5NO2
CAS Number:
1097814-03-3
Molecular Weight:
263.12
Beilstein/REAXYS Number:
22870656
MDL number:
MFCD11548138
UNSPSC Code:
41116105
PubChem Substance ID:
329755684

grade

matrix substance for MALDI-MS

Quality Level

100

assay

≥95.0% (HPLC)

analyte functional class(es)

drugs of abuse, ionic liquids (quantification)

analyte chemical class(es)

chlorinated lipids, lipids, peptides, phospholipids, phosphopeptides

technique(s)

collision-induced dissociation MS/MS (CID-MS/MS): suitable
matrix-enhanced secondary ion MS (ME-SIMS): suitable

solubility

methanol: 100 mg/10 mL, clear, colorless to light yellow

SMILES string

OC(/C(C#N)=C/C1=C(F)C(F)=C(F)C(F)=C1F)=O

InChI

1S/C10H2F5NO2/c11-5-4(1-3(2-16)10(17)18)6(12)8(14)9(15)7(5)13/h1H,(H,17,18)/b3-1+

InChI key

LYNQRDIQUFMLTI-HNQUOIGGSA-N

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pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCBL7699V
BCBL7699

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Dimitrios G Papasotiriou et al.
Journal of proteome research, 9(5), 2619-2629 (2010-04-07)
Peptide Mass Fingerprinting (PMF) of tryptically in-gel digested samples is a well-established protein identification technique for MALDI mass spectrometry but an in-depth PMF evaluation for in-gel digestions of less specific enzymes is still missing. This study demonstrates that the MALDI-LTQ-Orbitrap
Thorsten Jaskolla et al.
Journal of the American Society for Mass Spectrometry, 20(5), 867-874 (2009-02-10)
Phosphatidylethanolamines (PEs) are abundant lipid constituents of the cellular membrane. The amino group of PEs exhibits high reactivity with hypochlorous acid that is generated under inflammatory conditions in vivo. The analysis of the resulting PE mono- and dichloramines is of
Mark W Towers et al.
Journal of proteome research, 9(4), 1931-1940 (2010-02-13)
Matrix-assisted laser desorption/ionization (MALDI) is a key ionization technique in mass spectrometry (MS) for the analysis of labile macromolecules. An important area of study and improvements in relation to MALDI and its application in high-sensitivity MS is that of matrix
Jens Soltwisch et al.
Journal of the American Society for Mass Spectrometry, 24(10), 1477-1488 (2013-08-15)
The success of matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) as a widely employed analytical tool in the biomolecular sciences builds strongly on an effective laser-material interaction that is resulting in a soft co-desorption and ionization of matrix and imbedded biomolecules.
Thorsten W Jaskolla et al.
Journal of proteome research, 8(7), 3588-3597 (2009-05-14)
The performance of the recently developed 4-chloro-alpha-cyanocinnamic acid (Cl-CCA) matrix-assisted laser desorption ionization mass spectrometry (MALDI MS) matrix was investigated in comparison to the most widely used matrix alpha-cyano-4-hydroxycinnamic acid (CHCA). For this purpose, in-solution digestions of standard proteins in
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