Name | Value |
---|---|
InChI=1S/C28H51N3O8/c1-7-8-9-10-11-12-13-14-21-17(4)24(34)18(5)25(35)30-22(16(2)3)26(36)31-23(19(6)33)27(37)29-20(15-32)28(38)39-21/h16-24,32-34H,7-15H2,1-6H3,(H,29,37)(H,30,35)(H,31,36) | |
C28H51N3O8 | |
557.367615592 | |
O=C1OC(CCCCCCCCC)C(C)C(O)C(C(O)=NC(C(O)=NC(C(O)=NC1CO)C(O)C)C(C)C)C | |
CBEIHVWVTGRGDR-UHFFFAOYSA-N |
Name | Value |
---|---|
1 | |
LC-ESI | |
Commercial | |
qTof | |
557.367 | |
20200308_MSV000080492_NIH_Part1_TOF_Pos_IIN_robin_exportMerged_0i04min_200noise_mergeMSMSsum.mgf | |
MS2 | |
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE | |
Pieter Dorrestein, mpanitchpakdi, lfnothias/robinschmid | |
positive | |
4.276260469033415 | |
0.6239710847123403 | |
1115.74 | |
[2M+H]+ | |
2.869112875636916 ppm | |
-0.003201183999863133 Da |