Name | Value |
---|---|
474-74-8 | |
InChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16?,17-,18-,19+,20-,21+,22+,25?,26?/m1/s1 | |
C26H43NO4 | |
433.319208856 | |
O=C(O)CN=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C | |
XBSQTYHEGZTYJE-REPOFGKESA-N |
Name | Value |
---|---|
ESI | |
commercial | |
Orbitrap | |
433.319 | |
1 | |
Standards_n_1ugmL_glycolithocholic.mzXML | |
MS2 | |
BILELIB19 | |
Dorrestein, mpanitchpakdi, A. Jarmusch | |
negative | |
0.8856930278762573 | |
0.3126107780532476 | |
432.311 | |
[M-H]- | |
2.1578354472125634 ppm | |
-9.328560000199104E-4 Da |