Commit 337412ad authored by Emma Schymanski's avatar Emma Schymanski
Browse files

added 8:2 FT TP MS/MS data

... plus two new substances.
parent fcc58d1e
......@@ -70,3 +70,5 @@ LQERGGUGOIACQD-IWQZZHSRSA-N
LQERGGUGOIACQD-HNQUOIGGSA-N
WHZXTVOEGZRRJM-UPHRSURJSA-N
WHZXTVOEGZRRJM-OWOJBTEDSA-N
OQCMXQJHGOIKKP-OQFOIZHKSA-N
ZOYZDBBMBCZXPK-BAQGIRSFSA-N
This diff is collapsed.
......@@ -71,3 +71,5 @@ PubChem_CID,Name,SMILES,InChIKey,Synonym,DTXSID
NA,E-8:2 FTUAL,C(=C(/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)/C=O,LQERGGUGOIACQD-HNQUOIGGSA-N,E-8:2 Unsaturated fluorotelomer aldehyde,DTXSID80794091
11733192,Z-8:2 FTUCA,C(=C(/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)\F)\C(=O)O,WHZXTVOEGZRRJM-UPHRSURJSA-N,Z-8:2 Unsaturated fluorotelomer carboxylic acid,DTXSID001019143
11282540,E-8:2 FTUCA,C(=C(\C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F)\C(=O)O,WHZXTVOEGZRRJM-OWOJBTEDSA-N,E-8:2 Unsaturated fluorotelomer carboxylic acid,
NA,GS-Z-8:2 FTUAL,FC(F)(C(=C\C=O)\SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,OQCMXQJHGOIKKP-OQFOIZHKSA-N,Z-8:2 Unsaturated fluorotelomer aldehyde glutathione conjugate,
NA,GS-Z-8:2 FTUCA,FC(F)(C(=C/C(=O)O)/SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,ZOYZDBBMBCZXPK-BAQGIRSFSA-N,Z-8:2 Unsaturated fluorotelomer carboxylic acid glutathione conjugate,
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