Name | Value |
---|---|
KUVIULQEHSCUHY-XYWKZLDCSA-N | |
C28H37ClO7 | |
520.222781204 | |
O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CC)(C(=O)COC(=O)CC)C4(C)CC(O)C32Cl)C | |
InChI=1S/C28H37ClO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1 |
Name | Value |
---|---|
positive | |
MS2 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
C28H37ClO7 | |
HCD (NCE 20-30-40%) | |
Sonnenburg Lab MS2 Library C18 positive method | |
Sonnenburg_Lab_QE_MS2_Spectra.msp | |
3.898779775472735 | |
0.8622207140027572 | |
521.2300572 | |
[M+H]+ | |
1.3314734833960749 ppm | |
-6.940039999108194E-4 Da |