B-004

Benzoylecgonine solution

1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant^®

• Empirical Formula (Hill Notation): C₁₆H₁₉NO₄
• CAS Number: 519-09-5
• Molecular Weight: 289.33
• MDL number: MFCD00070263
• UNSPSC Code: 41116107
• PubChem Substance ID: 329773092

Properties

• grade: certified reference material
• Quality Level: 300
• form: liquid
• feature: SNAP-N-SPIKE^®, SNAP-N-SHOOT^®
• packaging: ampule of 1 mL
• manufacturer/tradename: Cerilliant^®
• drug control: Narcotic Licence Schedule A (Switzerland); estupefaciente (Spain); Decreto Lei 15/93: Tabela IB (Portugal)
• concentration: 1.0 mg/mL in methanol
• technique(s): gas chromatography (GC): suitable; liquid chromatography (LC): suitable
• application(s): forensics and toxicology
• format: single component solution
• shipped in: wet ice
• storage temp.: −20°C
• SMILES string: CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(O)=O
• InChI: 1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
• InChI key: GVGYEFKIHJTNQZ-RFQIPJPRSA-N

Description

General description

This certified reference standard is suitable for a variety of LC/MS or GC/MS applications from forensic analysis and clinical toxicology to urine drug testing.

Benzoylecgonine is the primary metabolite of cocaine and a major biomarker for the determination of cocaine use. Benzoylecgonine is also the main pharmaceutical ingredient in the prescription drug Esterom, a topical analgesic used for the relief of muscle pain.

Application

The certified reference solution (CRM) in solution can also be used as follows:

• Development and validation of a high-performance liquid chromatography-diode array detector (HPLC-DAD) based method to determine cocaine, its two main degradation products, and the common adulterants found in cocaine-based products from 115 seized samples
• Analysis of benzoylecgonine in human urine samples using a monolithic molecularly imprinted polymer (MIP) for the solid phase microextraction (SPME) followed by UV detection
• Separation and determination of cocaine and its metabolites― benzoylecgonine, ecgonine methyl ester, and cocaethylene in hair samples by hydrophilic interaction liquid chromatography-tandem mass spectrometry (HILIC-MS/MS)
• Estimation of cocaine, benzoylecgonine, cocaethylene, ecgonine methyl ester (EME), and norcocaine in dried blood spots (DBS) by ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS)
• Multi-residue analysis of xylazine, free morphine, 6-acetylmorphine, codeine, cocaine, and benzoylecgonine in post-mortem blood samples by ultra-high-pressure liquid chromatography-electrospray ionization (UPLC-ESI) and triple-quadrupole tandem mass spectrometry

Features and Benefits

• Fully characterized under ISO/IEC 17025 and ISO 17034 accreditation
• Accompanied with a comprehensive Certificate of Analysis (CoA) with data on stability, homogeneity, accuracy of concentration, uncertainty, and traceability
• Rigorously tested through real-time stability studies to ensure accuracy and shelf life
• Gravimetrically prepared using qualified precision balances to ensure minimal uncertainty
• Flame sealed under argon into ampoules for long-term shelf life
• Offered in a convenient, DEA-exempt format to improve laboratory efficiency

Legal Information

CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany

Snap-N-Shoot is a registered trademark of Cerilliant Corporation

Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS02,GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H225 - H301 + H311 + H331 - H370
• Precautionary Statements: P210 - P233 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point(F): 49.5 °F - closed cup
• Flash Point(C): 9.7 °C - closed cup