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title: HPLC Analysis | ||
sidebar_label: HPLC | ||
author: Nicole Jung | ||
sidebar_position: 7 | ||
--- | ||
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:::info[Important information for this page] | ||
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This page contains a collection of information how to reference analytical data. We provide this page to describe the preferred formatting of analytical evaluations in the Chemotion repository. The given preferences follow standards of journals/publishers and other stakeholders wherever we could find them. Currently, in particular the format of the metadata of the analytical data (everything before "=") is not reviewed critically. If you have suggestions and comments: please let us know or provide your ideas via the issue tracking option. | ||
https://github.com/ComPlat/chemotion_saurus/issues | ||
Updated: 19.07.2024 | ||
::: | ||
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## Inline notation for HPLC data | ||
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The inline notation gives a short summary of the metadata and a list of all sials or signals group (for signals that cannot be separated from each other). For each signal, the shift should be provided along with at least the following information given in parentheses: multiplet abbreviations, coupling constants, and number of atoms represented by each signal should be provided. (see **example No 1**) | ||
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### Examples for desired formatting: | ||
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**(1) Standard example:** | ||
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HPLC (VDSpher 100, C18-E, 5 μm, 250 x 4.0 mm; 20 °C; ACN/H2O 10:90 (0-1 min), 10:90 to 99:1 (1-11 min), 99:1 (11-14 min), 99:1 to 10:90 (14-16 min), 10:90 (16-20 min), 1 mL/min; 230 nm): ret [min] (area [%]) = 10.720 (36) [triazine], 7.802 (47) [indazole]. Others (17%). Conversion of indazole: 57% |