Name | Value |
---|---|
CoA | |
837.157 | |
C25H42N7O17P3S | |
837.1570737740001 | |
O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CCC | |
InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20?,24-/m1/s1 | |
CRFNGMNYKDXRTN-XBTRWLRFSA-N |
External Identifier | Value |
---|---|
2140-48-9 | |
C00136 | |
439173 |
Name | Value |
---|---|
PS030503 | |
Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN | |
Copyright(C) 2008 Plant Science Center, RIKEN | |
Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183 | |
TQD, Waters | |
Flow-injection QqQ/MS | |
ESI | |
Q | |
Q | |
LOW-ENERGY CID | |
30 | |
Q | |
CENTROID | |
[M+H]+ | |
MS2 | |
positive | |
1.5282761514849068 | |
0.7349454749520485 | |
837.73 | |
[M+H]+ | |
519.3126353360443 ppm | |
-0.43504377400006433 Da |