Name | Value |
---|---|
Natural Product; Nicotinamide; Dinucleotides | |
InChI=1S/C21H27N7O14P2/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/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | |
BAWFJGJZGIEFAR-NNYOXOHSSA-N | |
C21H27N7O14P2 | |
663.109121804 | |
O=P([O-])(OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O)OP(=O)(O)OCC4OC([N+]=5C=CC=C(C5)C(=N)O)C(O)C4O |
External Identifier | Value |
---|---|
53-84-9 | |
5682 | |
C00003 | |
C00007256 | |
5893 |
Name | Value |
---|---|
PR100631 | |
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN. | |
CC BY-SA | |
Acquisition and generation of the data is financially supported in part by CREST/JST. | |
663.10912 | |
UPLC Q-Tof Premier, Waters | |
LC-ESI-QTOF | |
MS2 | |
Ramp 5-60 V | |
Continuum | |
600.0 L/Hr | |
420 C | |
LOW-ENERGY CID | |
ESI | |
1.0 sec/scan (m/z = 50-1000) | |
120 C | |
3.0 kV | |
23.0 V | |
CH3CN(0.1%HCOOH) / H2O(0.1%HCOOH) | |
negative | |
1.971331105916434 | |
0.8221089253893347 | |
662.10132 | |
[M-H]- | |
0.7941443160828442 ppm | |
-5.258039999489483E-4 Da |