Dataset

(Methylsulfinyl)heptyl glucosinolate

This MassBank record with Accession MSBNK-RIKEN-PR309209 contains the MS2 mass spectrum of (Methylsulfinyl)heptyl glucosinolate with the InChIkey LQZALQLZOQQFGM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H29NO10S3/c1-28(21)8-6-4-2-3-5-7-11(16-26-29(22,23)24)27-15-14(20)13(19)12(18)10(9-17)25-15/h10,12-15,17-20H,2-9H2,1H3,(H,22,23,24)
SMILES O=S(C)CCCCCCCC(=NOS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1(O)
InChI Key LQZALQLZOQQFGM-UHFFFAOYSA-N
Molecular Formula C15H29NO10S3
Exact Mass 479.589 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309209
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MetadataCreated 2024-01-11T20:36:42.344775
MetadataModified 2025-02-09T18:33:34.777619
MetadataPublished 2019-03-28
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