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Product Overview

Product Code

TRC-M325741

CAS Number

1189877-28-8

Product Format

Neat

Molecular Formula

13C6 C4 H15 N3 O2

Molecular Weight

215.20

Product Categories

Reference Materials for Smoking-Related Substances , Stable isotopes, Stable Isotope Labelled Analytical Standards, TRC

Product Type

Stable Isotope Labelled, Metabolite

Unlabelled CAS Number

76014-81-8

Documentation

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Product Information

Chemical Data

Analyte Name

4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol 1,pyridyl-13C6

CAS Number

1189877-28-8

Molecular Formula

13C6 C4 H15 N3 O2

Molecular Weight

215.20

Accurate Mass

215.1366

SMILES

CN(CCC[13CH](O)[13c]1[13cH][13cH][13cH]n[13cH]1)N=O

InChI

InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3/i2+1,4+1,6+1,8+1,9+1,10+1

IUPAC

N-(4-hydroxy-4-(2,3,4,5,6-^{13}C_{5})pyridin-3-yl(4^{13}C)butyl)-N-methylnitrous amide

Unlabelled CAS Number

76014-81-8

SIL Type

Carbon

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

Product Description

A metabolite of NNK (Cat. #M325750), a tobacco-specific nitrosamine.

References: Hecht, S.S., et al.: Cancer Res., 40, 4144 (1980); Kutzer, C., et al.: J. Chromatog. Sci., 35, 1 (1997)

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4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol-1,2',3',4',5',6'-13C6

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