Name | Value |
---|---|
905-99-7 | |
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16?/m1/s1 | |
C16H18O9 | |
354.095082156 | |
O=C(O)C1(O)CC(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C1 | |
GYFFKZTYYAFCTR-PCNKEKKESA-N |
Name | Value |
---|---|
LC-ESI | |
Isolated | |
qTof | |
354.095 | |
1 | |
gnps_4_caffeoylquinic_acid_neg.mgf | |
MS2 | |
GNPS-LIBRARY | |
rsilva, Denise Silva, Norberto Lopes | |
negative | |
1.5609104562845009 | |
0.8021492960722162 | |
353.1 | |
[M-H]- | |
34.53368450870446 ppm | |
0.012193844000023546 Da |