Name | Value |
---|---|
AOJJSUZBOXZQNB-TZSSRYMLSA-N | |
C27H29NO11 | |
543.174060748 | |
O=C1C=2C=CC=C(OC)C2C(=O)C=3C(O)=C4C(=C(O)C13)CC(O)(C(=O)CO)CC4OC5OC(C)C(O)C(N)C5 | |
InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 |
Name | Value |
---|---|
M + 0 | |
positive | |
HCD (NCE 20-30-40%) | |
6.016984 | |
996 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
Michael Sa and Megan Showalter | |
MS2 | |
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm) | |
2.4328495584231935 | |
0.7558072105881277 | |
544.181 | |
[M+H]+ | |
1.894127137750655 ppm | |
-0.0010307479999482894 Da |