Dataset

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.

Chemical Info

molecular Image
Synonyms
3-Hydroxypropyl-Glucosinolate
InChI InChI=1S/C10H19NO10S2/c12-3-1-2-6(11-21-23(17,18)19)22-10-9(16)8(15)7(14)5(4-13)20-10/h5,7-10,12-16H,1-4H2,(H,17,18,19)/b11-6+
SMILES [H]OC([H])([H])C([H])([H])C([H])([H])C(=NOS(O)(=O)=O)SC([H])(O1)C([H])(O)C([H])(O[H])C([H])(O[H])C([H])(CO)1
InChI Key WIGYSAIZPJAWDF-IZZDOVSWSA-N
Exact Mass 377.04504 g/mol

Data and Resources

Metadata Information

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License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=CE000516
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MetadataCreated 2022-05-11T19:46:09.307541
MetadataModified 2022-05-11T19:46:09.307545
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