Name | Value |
---|---|
612.63 | |
C20H32N6O12S2 | |
612.151962464 | |
O=C(O)CNC(=O)C(NC(=O)CCC(N)C(=O)O)CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O | |
InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1 | |
YPZRWBKMTBYPTK-BJDJZHNGSA-N |
External Identifier | Value |
---|---|
27025-41-8 |
Name | Value |
---|---|
PT102350 | |
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN. | |
Copyright(C) 2009 Plant Science Center, RIKEN | |
Q-Tof Premier, Waters | |
LC-Q-TOF/MS | |
ESI | |
120 C | |
Q | |
Q | |
LOW-ENERGY CID | |
Ramp 5-45 V | |
TOF | |
Continuum | |
CH3CN/H2O | |
3.0 kV | |
23.0 V | |
[M+H]+ | |
MS2 | |
positive | |
0.21627555617073 | |
0.19686249498713437 | |
613.15976 | |
[M+H]+ | |
0.2812709040169844 ppm | |
-1.724640000020372E-4 Da |