Dataset
3-Hydroxypropyl-Glucosinolate; LC-ESI-ITFT; MS2; HCD; CE 35.0 eV; [M-H]-
Chemical Info
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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+ |
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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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DOI | |
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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