Name | Value |
---|---|
XJHDMGJURBVLLE-BOCCBSBMSA-N | |
C15H18O3 | |
246.125594436 | |
O=C1C=CC2(C(=C1C)C3OC(=O)C(C)C3CC2)C | |
InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1 |
Name | Value |
---|---|
M + 0 | |
positive | |
1.073133 | |
HCD (NCE 20-30-40%) | |
110 | |
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) | |
1.3622946937608722 | |
0.36684213185873915 | |
247.1326 | |
[M+H]+ | |
3.902504161748969 ppm | |
-9.644360000038432E-4 Da |