Name | Value |
---|---|
InChI=1S/C20H24O12/c21-7-20(27)8-29-19(17(20)26)28-6-12-14(23)15(24)16(25)18(32-12)30-10-3-1-9-2-4-13(22)31-11(9)5-10/h1-5,12,14-19,21,23-27H,6-8H2/t12-,14-,15+,16-,17+,18-,19-,20-/m1/s1 | |
C20H24O12 | |
456.12677620799997 | |
O=C1OC=2C=C(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C=CC2C=C1 | |
SXPBJYHKMRWZNA-ZITSYKRSSA-N |
Name | Value |
---|---|
LC-ESI | |
Commercial | |
qTof | |
456.128 | |
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 | |
1.5501513815332282 | |
0.501497926645763 | |
930.288 | |
[2M+NH4]+ | |
4.4420824518295685 ppm | |
-0.004132415999947625 Da |