Name | Value |
---|---|
KQIQKULTIAJZKL-VHFDLOJPSA-N | |
C21H22O10 | |
434.12129690399996 | |
O=C(OCC1OC(OC2=CC=C(O)C=C2)C(O)C(O)C1O)C=CC3(O)C=CC(=O)C=C3 | |
InChI=1S/C21H22O10/c22-12-1-3-14(4-2-12)30-20-19(27)18(26)17(25)15(31-20)11-29-16(24)7-10-21(28)8-5-13(23)6-9-21/h1-10,15,17-20,22,25-28H,11H2/b10-7+/t15-,17-,18+,19-,20-/m1/s1 |
Name | Value |
---|---|
MS2 | |
LC-ESI-QTOF | |
Agilent 6530 Q-TOF | |
Arpana Vaniya and Alberto Valdes Tabernero | |
positive | |
40 V | |
MX_C1_680 | |
1.3418 minutes | |
3.6267859837817733 | |
0.8595282286918835 | |
452.1549 | |
[M+NH4]+ | |
11.007077441798675 ppm | |
-0.0049769039999887354 Da |