Name | Value |
---|---|
327-97-9 | |
1794427 | |
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 | |
C16H18O9 | |
354.095082156 | |
O=C(O)C1(O)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1 | |
CWVRJTMFETXNAD-JUHZACGLSA-N |
Name | Value |
---|---|
LC-ESI | |
Isolated | |
Orbitrap | |
354.095 | |
1 | |
f.csimon1/NewData_SPE_Std_ESIpos_20180904/STD_6_Chlorogenic.mzXML; | |
MS2 | |
GNPS-LIBRARY | |
csimon1, Gleixner, Carsten Simon | |
positive | |
0.8300134121597824 | |
0.23949124671884905 | |
355.102 | |
[M+H]+ | |
2.96296838658834 ppm | |
-0.0010521560000142927 Da |