Name | Value |
---|---|
InChI=1S/C21H22N2O9/c1-23(12-8-10-4-6-14(29-2)17(30-3)16(10)31-20(12)27)19(26)11-9-21(28)15(25)7-5-13(24)18(21)32-22-11/h4-8,13,15,18,24-25,28H,9H2,1-3H3 | |
C21H22N2O9 | |
446.132530284 | |
O=C1OC=2C(OC)=C(OC)C=CC2C=C1N(C(=O)C3=NOC4C(O)C=CC(O)C4(O)C3)C | |
PCMUPOUDXMFDRE-UHFFFAOYSA-N |
Name | Value |
---|---|
1 | |
LC-ESI | |
Commercial | |
Orbitrap | |
446.132 | |
MSV0000083472_NIH_NP_QE_Pos2_0i1min_r80_mergeMSMS.mgf | |
MS2 | |
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE | |
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid | |
positive | |
0.6228696847381638 | |
0.38701069480595307 | |
469.122 | |
[M+Na]+ | |
0.640097884965584 ppm | |
-3.0028399999082467E-4 Da |