Name | Value |
---|---|
InChI=1S/C21H22O7/c1-5-12(2)20(24)28-21(3,4)15(22)11-26-19-17-14(8-9-25-17)10-13-6-7-16(23)27-18(13)19/h5-10,15,22H,11H2,1-4H3/b12-5- | |
C21H22O7 | |
386.136553044 | |
O=C1OC2=C(OCC(O)C(OC(=O)C(=CC)C)(C)C)C=3OC=CC3C=C2C=C1 | |
QPQHCRKTYXPSQG-XGICHPGQSA-N |
Name | Value |
---|---|
LC-ESI | |
Commercial | |
qTof | |
386.137 | |
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 | |
3.0303604782366214 | |
0.5092492871914854 | |
773.279 | |
[2M+H]+ | |
2.6847851809852044 ppm | |
-0.002076087999967058 Da |