485365

Sigma-Aldrich

Caffeine-(trimethyl-13C3)

99 atom % 13C, 99% (CP)

Synonym(s):
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-13C)
Empirical Formula (Hill Notation):
13C3C5H10N4O2
CAS Number:
Molecular Weight:
197.17
MDL number:
PubChem Substance ID:
NACRES:
NA.12

Quality Level

isotopic purity

99 atom % 13C

assay

99% (CP)

application(s)

mass spectrometry (MS): suitable

mp

234-236.5 °C (lit.)

mass shift

M+3

SMILES string

[13CH3]N1C(=O)N([13CH3])c2ncn([13CH3])c2C1=O

InChI

1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1+1,2+1,3+1

InChI key

RYYVLZVUVIJVGH-VMIGTVKRSA-N

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Packaging

1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

hazcat

Acute Tox. 4 Oral

storage_class_code

11 - Combustible Solids

WGK Germany

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

Certificate of Origin

Jeroen Peters et al.
Analytical and bioanalytical chemistry, 405(24), 7783-7794 (2013-06-14)
A combined (triplex) immunoassay for the simultaneous detection of three mycotoxins in grains was developed with superparamagnetic colour-encoded microbeads, in combination with two bead-dedicated flow cytometers. Monoclonal antibodies were coupled to the beads, and the amounts of bound mycotoxins were...
Noelia López-Gutiérrez et al.
Food chemistry, 173, 607-618 (2014-12-04)
A method has been developed and validated for the simultaneous detection and quantification of phytochemicals in nutraceutical products obtained from green tea. For that purpose, ultra-high performance liquid chromatography coupled to single-stage Orbitrap high resolution mass spectrometry (UHPLC-Orbitrap-MS) has been...

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