Name | Value |
---|---|
InChI=1S/C28H28O11/c1-13-9-18(32)23(26-22(13)19(33)11-17(37-26)10-14(2)30)27-28(25(36)24(35)20(12-29)38-27)39-21(34)8-5-15-3-6-16(31)7-4-15/h3-9,11,20,24-25,27-29,31-32,35-36H,10,12H2,1-2H3/b8-5+/t20-,24-,25+,27+,28-/m1/s1 | |
C28H28O11 | |
540.163161716 | |
O=C(OC1C(O)C(O)C(OC1C2=C(O)C=C(C=3C(=O)C=C(OC32)CC(=O)C)C)CO)C=CC4=CC=C(O)C=C4 | |
QACRJXSXSVUOFZ-HINKZNOMSA-N |
Name | Value |
---|---|
LC-ESI | |
Commercial | |
qTof | |
540.165 | |
1 | |
20200308_MSV000080492_NIH_Part1_TOF_Pos_IIN_robin_exportMerged_0i04min_200noise_mergeMSMSsum.mgf | |
MS2 | |
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE | |
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid | |
positive | |
3.017712017525431 | |
0.5453641070582572 | |
1081.33 | |
[2M+H]+ | |
3.9705103899275587 ppm | |
-0.004293431999940367 Da |