Name | Value |
---|---|
354.1 | |
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 | |
GYFFKZTYYAFCTR-JUHZACGLSA-N | |
C16H18O9 | |
354.095082156 | |
O=C(O)C1(O)CC(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C1 |
External Identifier | Value |
---|---|
905-99-7 |
Name | Value |
---|---|
PM018603 | |
F. Matsuda and M. Suzuki. | |
Copyright(C) 2012 Plant Science Center, RIKEN | |
H2O/CH3OH/CH3COOH | |
QqQ | |
Micromass Quattromicro | |
20eV | |
ESI | |
negative | |
Green coffee beans of Coffea arabica (Arabica) and Coffea canephora (Robusta) | |
[M-H]- | |
MS2 | |
1.4103477372228994 | |
0.8762983190136868 | |
352.8 | |
[M-H]- | |
815.7770861677659 ppm | |
-0.2878061559999878 Da |