Dataset

Cholic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00972 contains the MS2 mass spectrum of Cholic acid with the InChIkey BHQCQFFYRZLCQQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)
SMILES CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
InChI Key BHQCQFFYRZLCQQ-UHFFFAOYSA-N
Molecular Formula C24H40O5
Exact Mass 408.288 g/mol

Data and Resources

Metadata Information

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License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00972
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MetadataCreated 2024-01-11T22:20:41.777522
MetadataModified 2025-02-09T20:11:25.488525
MetadataPublished 2016-01-19
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