Dataset

Hesperidin

This MassBank record with Accession MSBNK-Fiocruz-FIO00484 contains the MS2 mass spectrum of Hesperidin with the InChIkey QUQPHWDTPGMPEX-QJBIFVCTSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O
InChI Key QUQPHWDTPGMPEX-QJBIFVCTSA-N
Molecular Formula C28H34O15
Exact Mass 610.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00484
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:36:51.558859
MetadataModified 2024-01-11T16:36:51.852747
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables