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485365

Sigma-Aldrich

咖啡因-三甲基-13C3

99 atom % 13C, 99% (CP)

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别名:
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-13C)
经验公式（希尔记法）:
13C3C5H10N4O2
CAS号:
78072-66-9
分子量:
197.17
MDL编号:
MFCD01075576
PubChem化学物质编号:
24872064
NACRES:
NA.12

同位素纯度

99 atom % 13C

检测方案

99% (CP)

形式

solid

technique(s)

mass spectrometry (MS): suitable

mp

234-236.5 °C (lit.)

质量偏移

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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相关类别

一般描述

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

应用

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.

包装

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.

象形图

Exclamation mark
GHS07

警示用语：

Warning

危险声明

H302

危险分类

Acute Tox. 4 Oral

储存分类代码

11 - Combustible Solids

WGK

WGK 1

闪点(°F)

Not applicable

闪点(°C)

Not applicable

法规信息

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Stephen D Cooper et al.
Journal of analytical toxicology, 35(6), 341-348 (2011-07-12)
A rapid and simple liquid chromatography tandem mass spectrometry method was developed and validated for the simultaneous determination of L-ephedrine, pseudoephedrine, and caffeine in male Fisher-344 rat plasma at nanogram-per-milliliter concentrations for use in support of toxicology studies. Only 25
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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