Name | Value |
---|---|
InChI=1S/C21H20O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16-18,22-23,26H,13H2 | |
C21H20O7 | |
384.12090298 | |
O=C(OCC1(O)C(O)C=CC(OC(=O)C=2C=CC=CC2)C1O)C=3C=CC=CC3 | |
AWCUZBLYCWUTRL-UHFFFAOYSA-N |
Name | Value |
---|---|
LC-ESI | |
Commercial | |
qTof | |
384.122 | |
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 | |
2.553913743693077 | |
0.4955888283946354 | |
786.277 | |
[2M+NH4]+ | |
4.306319528545225 ppm | |
-0.0033859599999459533 Da |