Caffeine-d3
(Synonyms: Methyltheobromine-d3) 目录号 : GC47019An Analytical Reference Material
Cas No.:26351-03-1
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
Caffeine-d3 is an analytical reference material intended for use as an internal standard for the quantification of caffeine by GC- or LC-MS. Caffeine is a natural stimulant that is also used as a cutting agent for cocaine and heroin.1,2 This product is intended for research and forensic applications.
1.Davies, S., Wood, D.M., Smith, G., et al.Purchasing 'legal highs' on the internet-is there consistency in what you get•Q.J.M.103(7)489-493(2010) 2.BrosÉus, J., Gentile, N., and Esseiva, P.The cutting of cocaine and heroin: A critical reviewForensic Sci. Int.26273-83(2016)
| Cas No. | 26351-03-1 | SDF | |
| 别名 | Methyltheobromine-d3 | ||
| Canonical SMILES | O=C(N(C)C1=C2N(C)C=N1)N(C([2H])([2H])[2H])C2=O | ||
| 分子式 | C8H7D3N4O2 | 分子量 | 197.2 |
| 溶解度 | DMF: 10 mg/ml,DMSO: 2 mg/ml,Ethanol: 0.2 mg/ml,PBS (pH 7.2): 5 mg/ml | 储存条件 | Store at -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 5.071 mL | 25.355 mL | 50.7099 mL |
| 5 mM | 1.0142 mL | 5.071 mL | 10.142 mL |
| 10 mM | 0.5071 mL | 2.5355 mL | 5.071 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
New method for caffeine quantification by planar chromatography coupled with electropray ionization mass spectrometry using stable isotope dilution analysis
Rapid Commun Mass Spectrom 2007;21(7):1297-303.PMID:17340560DOI:10.1002/rcm.2949.
A new high-performance thin-layer chromatography/electrospray ionization mass spectrometry (HPTLC/ESI-MS) method for the quantification of caffeine in pharmaceutical and energy drink samples was developed using stable isotope dilution analysis (SIDA). After sample preparation, samples and caffeine standard were applied on silica gel 60 F254 HPTLC plates and over-spotted with Caffeine-d3 used for correction of the plunger positioning. After chromatography, densitometric detection was performed by UV absorption at 274 nm. The bands were then eluted by means of a plunger-based extractor into the ESI interface of a single-quadrupole mass spectrometer. For quantification by MS the [M+H]+ ions of caffeine and Caffeine-d3 were recorded in the positive ion single ion monitoring (SIM) mode at m/z 195 and 198, respectively. The calibration showed a linear regression with a determination coefficient (R2) of 0.9998. The repeatability (RSD, n=6) in matrix was
Determination of cutting agents in seized cocaine samples using GC-MS, GC-TMS and LC-MS/MS
Forensic Sci Int 2019 Feb;295:199-206.PMID:30634141DOI:10.1016/j.forsciint.2018.12.016.
Cocaine is usually sold as a white powder and can contain several adulterants and diluents, known as cutting agents. The cutting agents play an important role in the identification of trafficking routes, and they can also modify or intensify signs and symptoms of drug intoxication increasing the risk to the health's user. The purpose of this work was to quantify cocaine and cutting agents in 116 illicit samples from NMS Labs, Willow Grove, PA, U.S. Gas chromatography - mass spectrometry (GC-MS) and handle-portable gas chromatography toroidal ion trap mass spectrometry (GC-TMS) were used as screening methods A liquid chromatography tandem mass spectrometry (LC-MS/MS) method was developed and validated for the quantification of cocaine, levamisole, benzocaine, phenacetin, hydroxyzine, theophylline, diltiazem, acetaminophen and caffeine. Cocaine-d3 and Caffeine-d3 were used as internal standards. The method was shown to be precise, accurate and linear over a range of 50-2000ng/mL for all analytes. Cocaine was the only detected compound in 16.37% (n=19) of the samples. Between the identified cutting agents, levamisole was the most abundant substance found (79.31% of the total samples, amounts ranging from 0.2 to 74.3%), followed by phenacetin (18.96%, 0.3-46.8%), caffeine (12.06%, 0.2-32.2%), hydroxyzine (9.48%, 0.7-13.8%) and benzocaine (5.17%, 0.4-58.3%). GC-TMS was considered suitable to be used as a tool in forensic analysis as a screening method for cocaine, benzocaine, phenacetin, hydroxyzine and caffeine with restrictions to be used for levamisole, while GC-MS presented good results in screening analysis for cocaine, levamisole, benzocaine, phenacetin, hydroxyzine and caffeine.
Gas chromatographic-mass spectrometric quantitation of theophylline and its metabolites in biological fluids
J Pharm Sci 1983 May;72(5):526-9.PMID:6864499DOI:10.1002/jps.2600720512.
In premature infants, theophylline is converted to caffeine, and the biological half-life is prolonged. To assess the metabolic alterations of theophylline during development of premature infants, a sensitive and simple method was developed which quantitated all theophylline metabolites in plasma, urine, and red blood cells. Theophylline and its metabolites in the sample were converted to the N-propyl derivative using n-propyl iodide in dimethylformamide with potassium carbonate catalysis and were analyzed under isothermal conditions on a gas chromatograph-mass spectrometer with a 3% methylsilicone-phenylsilicone column. Deuterated caffeine (Caffeine-d3) was used as the internal standard. A selected ion-monitoring technique, together with 70-eV electron impact ionization mode, was used. The ion current ratios between Caffeine-d3 (m/z 197) and caffeine (m/z 194), theophylline (m/z 222), 3-methylxanthine (m/z 250), 1,3-dimethyluric acid (m/z 280), and 1-methyluric acid (m/z 308) were monitored. The total analysis time was 12 min with a detection limit ranging from 500 pg to 10 ng, depending on the metabolites. With this sensitivity, sample sizes of 50-100 microliters of plasma and 0.5 ml of urine were sufficient for the analysis of all theophylline metabolites. The coefficient of variation of this method was less than 5% for the analysis of biological samples.
Utility of caffeine analysis for forensic hair discrimination
Nihon Hoigaku Zasshi 1998 Aug;52(4):233-7.PMID:9893441doi
Utility of caffeine analysis for the purpose of forensic hair discrimination was evaluated. Methanol extracts of each 5-cm strand of scalp hair, after its incubation at 37 degrees C for 15 h, was analyzed by gas chromatography-mass spectrometry (GC-MS). For quantitative analysis of caffeine, Caffeine-d3 was added as internal standard to the methanol extract. Hair specimens were obtained from three victims and from twenty-two volunteers. The results showed that caffeine levels in hair varied according to each individual; caffeine was detected up to a maximum level of 4.19 ng/5-cm hair. The concentrations of caffeine in hair obtained from four different regions of the scalp in twenty-two volunteers showed a coefficient of variation not greater than 24.7% for each individual. Based on our data, it was concluded that caffeine levels give relatively high reliability for discriminating a victim's hair from others at a criminal or accidental scene, although it should be used in combination with morphological examination and ABO blood group determination.