Name | Value |
---|---|
C17H13Cl3O5 | |
401.982856556 | |
O=C1OC2=C(OC3=C(Cl)C(O)=C(Cl)C(=C13)C)C(=C(Cl)C(OC)=C2C)C | |
InChI=1S/C17H13Cl3O5/c1-5-8-16(11(20)12(21)9(5)18)24-14-6(2)10(19)13(23-4)7(3)15(14)25-17(8)22/h21H,1-4H3 | |
MTWNEIGWRWQLFS-UHFFFAOYSA-N |
Name | Value |
---|---|
LC-ESI | |
Isolated | |
qTof | |
401.983 | |
1 | |
NEG_082_Caloploicin.mzXML | |
MS2 | |
LDB_NEGATIVE | |
Joel BOUSTIE Pierre LE POGAM, Damien OLIVIER, dolivierj | |
negative | |
3.181659131433403 | |
0.36290592046882486 | |
400.964 | |
[M-H]- | |
28.881784898426343 ppm | |
-0.01158055600001262 Da |