@prefix schema: .
a schema:Dataset ;
schema:dateModified "2025-07-14T18:27:16.541919" ;
schema:datePublished "2024-01-11T13:23:36.136813" ;
schema:description "This MassBank record with Accession MSBNK-Eawag-EQ299256 contains the MS2 mass spectrum of MCLR with the InChIkey ZYZCGGRZINLQBL-GWRQVWKTSA-N." ;
schema:distribution ;
schema:includedInDataCatalog [ a schema:DataCatalog ;
schema:description "Production server for CKAN NFDI4Chem" ;
schema:name "NFDI4Chem Search Service" ;
schema:url "https://search.nfdi4chem.de" ] ;
schema:keywords "InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1" ;
schema:license "https://creativecommons.org/licenses/by-sa/4.0" ;
schema:name "MCLR; LC-ESI-QFT; MS2; CE: 90%; R=17500; [M-H]-" ;
schema:publisher ;
schema:url "https://search.nfdi4chem.de/dataset/msbnk-eawag-eq299256" .
a schema:DataDownload ;
schema:encodingFormat "HTML" ;
schema:name "MCLR" ;
schema:url "https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ299256" .
a schema:Organization ;
schema:contactPoint [ a schema:ContactPoint ;
schema:contactType "customer service" ;
schema:url "https://search.nfdi4chem.de" ] ;
schema:name "MassBank" .