Dataset

Estrone 3-methyl ether

This MassBank record with Accession MSBNK-BAFG-CSL2311093348 contains the MS2 mass spectrum of Estrone 3-methyl ether with the InChIkey BCWWDWHFBMPLFQ-VXNCWWDNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1
SMILES C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OC
InChI Key BCWWDWHFBMPLFQ-VXNCWWDNSA-N
Molecular Formula C19H24O2
Exact Mass 284.178 g/mol

Data and Resources

Metadata Information

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DOI
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Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311093348
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MetadataCreated 2024-01-11T11:30:31.438602
MetadataModified 2024-01-11T11:30:31.686664
MetadataPublished 2023-11-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables