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Chemotion - Repository

The Chemotion Repository contains various analytical data of molecules like NMR, MS, IR or UV Spectra. Chemotion (as of May 2022) contains 9719 analytical datasets (3930 NMR, 2369 IR and...

infrared absorption spectroscopy (IR) (N-[(E)-1-(1,3-dithian-2-yl)propylidene...

dataset for infrared absorption spectroscopy (IR)
thin-layer chromatography (TLC) (N-[(E)-1-(1,3-dithian-2-yl)propylideneamino]...

dataset for thin-layer chromatography (TLC)
N-[(E)-1-(1,3-dithian-2-yl)propylideneamino]-3-iodo-4-methylaniline

This dataset contains experimental data from a sample...
electron ionisation mass spectrometry (EI-MS) (N-[(E)-1-(1,3-dithian-2-yl)pro...

dataset for electron ionisation mass spectrometry (EI-MS)

MassBank

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

3-Hydroxypropyl-Glucosinolate; LC-ESI-ITFT; MS2; HCD; CE 35.0 eV; [M-H]-

This MassBank record with Accession CE000516 contains the MS2 mass spectrum of 3-Hydroxypropyl-Glucosinolate.
Proline; LC-ESI-ITFT; MS2; CE 10.0 eV; [M+H]+

This MassBank record with Accession CE000639 contains the MS2 mass spectrum of Proline.
Valine; LC-ESI-ITFT; MS2; CE 40.0 eV; [M+H]+

This MassBank record with Accession CE000568 contains the MS2 mass spectrum of Valine.
Cinchonine; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+

This MassBank record with Accession CE000025 contains the MS2 mass spectrum of Cinchonine.

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