Name | Value |
---|---|
Natural Product | |
InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | |
BOPGDPNILDQYTO-NNYOXOHSSA-N | |
C21H29N7O14P2 | |
665.124771868 | |
O=P(O)(OCC1OC(N2C=CCC(=C2)C(=N)O)C(O)C1O)OP(=O)(O)OCC3OC(N4C=NC=5C(=NC=NC54)N)C(O)C3O |
Name | Value |
---|---|
KNA00665 | |
2016.01.19 (Created 2009.11.19, modified 2011.08.03) | |
Takahashi H, Kanaya S, Ogasawara N, Graduate School of Information Science, NAIST | |
CC BY-SA | |
665.12477 | |
LTQ Orbitrap XL, Thermo Scientfic | |
LC-ESI-ITFT | |
MS2 | |
35eV | |
ESI | |
TOSOH TSKgel ODS-100V 5um Part no. 21456 | |
0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile) | |
0.5 ml/min | |
9.530022 min | |
0.1%formate-water / 0.1%formate-acetonitrile | |
negative | |
1.862241190492107 | |
0.5785377541143135 | |
397.02 |