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
Molecular Formula C10H19NO10S2
Exact Mass 377.046 g/mol

Data and Resources

Additional Info

Field Value
Source https://massbank.eu/MassBank/RecordDisplay?id=CE000516
Last Updated May 11, 2022, 19:46 (UTC)
Created May 11, 2022, 19:46 (UTC)
dateCreated 2012-04-12T00:00:00
datePublished 2016-01-19T00:00:00
harvest_object_id ccec5dd9-3228-470b-8cf5-47d81a260b02
harvest_source_id 3bad9e9a-f7d3-4dd2-8fd5-0080dbfd0fea
harvest_source_title Bioschema MassBank