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485365

Caffeine-(trimethyl-13C3)

99 atom % 13C, 99% (CP)

Synonym(s):

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-13C)

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About This Item

Empirical Formula (Hill Notation):
13C3C5H10N4O2
CAS Number:
78072-66-9
Molecular Weight:
197.17
NACRES:
NA.12
PubChem Substance ID:
24872064
UNSPSC Code:
12352106
MDL number:
MFCD01075576
Isotopic purity:
99 atom % 13C
Assay:
99% (CP)
Mass shift:
M+3
Form:
solid
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isotopic purity

99 atom % 13C

Quality Level

200

assay

99% (CP)

form

solid

technique(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

General description

L-Caffeine-(trimethyl-13C3) is an isotopic analogue of L-caffeine.

Application

L-Caffeine-(trimethyl-13C3) can be used
in the determination of L-Ephedrine, pseudooephedrine and caffeine in rat plasma using LC-TMS and study its toxicokinetic value.
as an internal standard for the investigation of caffeine concentration in drinking foods.

Packaging

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.

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

485365-VAR: + 485365-BULK: + 485365-1G-PW: + 485365-1G:

jan

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Certificates of Analysis (COA)

Lot/Batch Number
TV1594
TV0378
22226PO
22074HS
13989DA

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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