Name | Value |
---|---|
14643-66-4 | |
C36H38N4O8 | |
654.268964176 | |
O=C(O)CCC=1C2=NC(=CC=3NC(C=C4NC(=CC5=NC(=C2)C(=C5CCC(=O)O)C)C(=C4CCC(=O)O)C)=C(C3C)CCC(=O)O)C1C | |
InChI=1S/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,38,40H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)/b25-13-,26-13-,27-14-,28-15+,29-14-,30-15-,31-16?,32-16- | |
XNBNKCLBGTWWSD-RZGVYWFLSA-N |
Name | Value |
---|---|
LC-ESI | |
Commercial | |
qTof | |
654.269 | |
1 | |
f.vphelan/Calbicans_Ecoli/Coporphyrin_III_1uM_GA3_01_23402.mzXML; | |
MS2 | |
GNPS-LIBRARY | |
vphelan, pdorrestein | |
positive | |
5.342187453039157 | |
0.7871534192335612 | |
655.277 | |
[M+H]+ | |
0.10045217517070486 ppm | |
6.582399998933397E-5 Da |