Name | Value |
---|---|
InChI=1S/C12H20O4/c1-8-10(7-16-12(8)15)5-3-4-6-11(14)9(2)13/h9,11,13-14H,3-7H2,1-2H3 | |
C12H20O4 | |
228.13615912 | |
O=C1OCC(=C1C)CCCCC(O)C(O)C | |
HNNQILZBIHECCU-UHFFFAOYSA-N |
Name | Value |
---|---|
MS2 | |
LC-ESI | |
Commercial | |
qTof | |
228.137 | |
1 | |
20200308_MSV000080492_NIH_Part1_TOF_Pos_IIN_robin_exportMerged_0i04min_200noise_mergeMSMSsum.mgf | |
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE | |
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid | |
positive | |
3.347584172123583 | |
0.8794013604094342 | |
246.171 | |
[M+NH4]+ | |
15.189116508467158 ppm | |
-0.003739120000005869 Da |