Name | Value |
---|---|
InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(9-29)14(5-12-6-18(38-3)24(33)27(39-4)21(12)20)11-40-28-26(35)25(34)23(32)19(10-30)41-28/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14?,15?,19-,20?,23-,25+,26-,28-/m1/s1 | |
C28H38O13 | |
582.231241276 | |
OC1=C(OC)C=C(C=C1OC)C2C3=C(OC)C(O)=C(OC)C=C3CC(COC4OC(CO)C(O)C(O)C4O)C2CO | |
PACBNJFGEWTGCE-OVYNBQGTSA-N |
Name | Value |
---|---|
LC-ESI | |
Commercial | |
qTof | |
582.234 | |
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 | |
2.37692945093553 | |
0.5879048504395069 | |
600.268 | |
[M+NH4]+ | |
3.0341047665158523 ppm | |
-0.0018212759999869377 Da |