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Supelco

α-Cyano-4-fluorocinnamic acid

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

Synonym(s):

α-Cyano-p-fluorocinnamic acid, 2-Cyano-3-(4-fluorophenyl)-2-propenoic acid, FCCA, NSC 638135

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About This Item

Empirical Formula (Hill Notation):
C10H6FNO2
CAS Number:
118409-66-8
Molecular Weight:
191.16
Beilstein:
10339054
MDL number:
MFCD00466853
UNSPSC Code:
12000000
PubChem Substance ID:
329767465
NACRES:
NA.21

grade

matrix substance for MALDI-MS

Quality Level

100

Assay

≥95.0% (HPLC)

form

crystals

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=CC=C(F)C=C1)=O

InChI

1S/C10H6FNO2/c11-9-3-1-7(2-4-9)5-8(6-12)10(13)14/h1-5H,(H,13,14)/b8-5+

InChI key

OBZAFMILNGLRAL-VMPITWQZSA-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
BCBL7696V
BCBL7696

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Marcel Wiegelmann et al.
Analytical and bioanalytical chemistry, 405(22), 6925-6932 (2012-10-16)
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Mark W Towers et al.
Journal of proteome research, 9(4), 1931-1940 (2010-02-13)
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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
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
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