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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:
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

Signal Word

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 Code

11 - Combustible Solids

WGK

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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Marcel Wiegelmann et al.
Analytical and bioanalytical chemistry, 405(22), 6925-6932 (2012-10-16)
A high analytical sensitivity in ultraviolet matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) is only achieved if the laser wavelength corresponds to a high optical absorption of the matrix. Laser fluence and the physicochemical properties of the compounds, e.g., the
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
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 W Jaskolla et al.
Proceedings of the National Academy of Sciences of the United States of America, 105(34), 12200-12205 (2008-08-30)
Matrix-assisted laser desorption ionization (MALDI) has become an enabling technology for the fields of protein mass spectrometry (MS) and proteomics. Despite its widespread use, for example, in protein identification via peptide mass fingerprinting, a comprehensive model for the generation of
Kristin Teuber et al.
Chemistry and physics of lipids, 163(6), 552-560 (2010-04-28)
Due to its sensitivity, the tolerance of impurities and the simplicity of performance, matrix-assisted laser desorption and ionization time-of-flight (MALDI-TOF) mass spectrometry (MS) is increasingly used to analyze lipids from biological sources. Although its detailed role is not understood so
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