Name | Value |
---|---|
InChI=1S/C22H18O10/c23-13-2-1-9(3-15(13)25)21-18(28)8-12-14(24)6-11(7-19(12)32-21)31-22(30)10-4-16(26)20(29)17(27)5-10/h1-7,18,21,23-29H,8H2/t18-,21+/m1/s1 | |
C22H18O10 | |
442.08999677599996 | |
O=C(OC1=CC(O)=C2C(OC(C3=CC=C(O)C(O)=C3)C(O)C2)=C1)C4=CC(O)=C(O)C(O)=C4 | |
WKIHBIBUCQPPBY-NQIIRXRSSA-N |
Name | Value |
---|---|
LC-ESI | |
Commercial | |
qTof | |
442.09 | |
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 | |
2.71032466768091 | |
0.6401172631671227 | |
443.097 | |
[M+H]+ | |
2.181860856616707 ppm | |
-9.667759999842929E-4 Da |