Cocaine

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MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.

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Dataset

Cocaine

This MassBank record with Accession MSBNK-BAFG-CSL23111017585 contains the MS2 mass spectrum of Cocaine with the InChIkey ZPUCINDJVBIVPJ-UHFFFAOYSA-N.

Chemical Info

molecular Image

InChI	InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3
SMILES	CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC
InChI Key	ZPUCINDJVBIVPJ-UHFFFAOYSA-N
Molecular Formula	C17H21NO4
Exact Mass	303.147 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111017585
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:56:20.509264
MetadataModified	2024-01-11T10:56:20.663648
MetadataPublished	2023-11-10

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables