Name | Value |
---|---|
C51H50N14O15S | |
1130.3300778999999 | |
O=C(O)C(=C)NC(=O)C(=C)NC(=O)C1=NC=2C=3N=C(OC3)C(=C)NC(=O)C(=C)NC(=O)C=4N=C(OC4C)C(=C)NC(=O)C(NC(=O)C(=C)NC(=O)C=5N=C(OC5C)C(=CC)NC(=O)C(NC(=O)C=6N=C(SC6)C2C=C1)C(O)C)C(C)C | |
InChI=1S/C51H50N14O15S/c1-13-29-49-65-36(27(12)80-49)46(75)54-21(6)40(69)62-33(18(2)3)43(72)56-23(8)48-64-35(26(11)79-48)45(74)53-20(5)38(67)55-22(7)47-60-31(16-78-47)37-28(50-61-32(17-81-50)42(71)63-34(25(10)66)44(73)59-29)14-15-30(58-37)41(70)52-19(4)39(68)57-24(9)51(76)77/h13-18,25,33-34,66H,4-9H2,1-3,10-12H3,(H,52,70)(H,53,74)(H,54,75)(H,55,67)(H,56,72)(H,57,68)(H,59,73)(H,62,69)(H,63,71)(H,76,77)/b29-13-/t25-,33+,34+/m1/s1 | |
JEVSPJYINMJRET-KFSKHFNISA-N |
Name | Value |
---|---|
LC-ESI | |
Isolated | |
Orbitrap | |
1131.34 | |
1 | |
f.amelnik/Propimycin_QE.mgf; | |
MS2 | |
GNPS-LIBRARY | |
amelnik, AMelnik, MFischbach | |
positive | |
4.877431991306714 | |
0.8342569175811743 | |
1131.34 | |
[M+H]+ | |
1.7254759843665237 ppm | |
0.001952100000153223 Da |