Inosine(58-63-9) MS
Molecular FormulaC10H12N4O5
Molecular Weight268.23
InChIInChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
InChIKey UGQMRVRMYYASKQ-KQYNXXCUSA-N
SmilesOC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)O)N=C2)[C@H](O)[C@@H]1O
-
MassMS-NW-2579 inosine C10H12N4O5 (Mass of molecular ion: 268)
Source Temperature: 230 °C Sample Temperature: 190 °C Direct, 75 eV
15.0 1.9 17.0 1.2 18.0 6.1 19.0 2.4 27.0 6.2 28.0 37.8 29.0 8.1 30.0 1.0 31.0 5.0 38.0 3.7 39.0 4.8 40.0 1.5 41.0 2.4 42.0 2.4 43.0 8.1 44.0 4.5 45.0 3.6 47.0 1.1 53.0 11.1 54.0 33.1 55.0 6.5 56.0 1.9 57.0 13.5 58.0 1.5 60.0 4.7 61.0 2.1 65.0 1.3 66.0 3.3 67.0 1.3 68.0 2.7 69.0 2.4 70.0 1.8 71.0 3.8 72.0 1.6 73.0 7.7 74.0 1.1 80.0 3.2 81.0 11.0 82.0 4.4 85.0 2.0 86.0 2.0 97.0 1.5 108.0 5.5 109.0 5.7 115.0 1.3 133.0 1.0 135.0 5.6 136.0 100.0 137.0 8.0
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C10 H12 N4 O5 0.039 g : 0.5 ml DMSO-d6 inosine 
Assign. Shift(ppm)
A 12.44 B *1 8.375 C *1 8.114 D 5.901 E 5.54 F 5.25 G 5.12 J 4.516 K 4.160 L 3.971 M *2 3.680 N *2 3.583 ASSIGNED BY H-H AND C-H COSY. J(D,J)=5.7HZ J(E,J)=4.4HZ J(F,K)=3.1HZ J(G,M)=J(G,N)=5.3HZ
Hz ppm Int.4970.95 12.439 52 3347.18 8.376 1000 3242.78 8.115 931 2361.38 5.909 408 2355.70 5.895 418 2099.82 5.255 106 2099.09 5.253 106 2098.36 5.251 106 2097.99 5.250 106 2097.62 5.249 106 2097.07 5.248 106 2052.56 5.136 93 2047.25 5.123 171 2041.94 5.110 94 1806.94 4.522 126 1803.09 4.512 127 1662.79 4.161 152 1592.82 3.986 91 1588.97 3.976 265 1585.31 3.967 259 1581.46 3.958 92 1482.55 3.710 47 1478.15 3.699 79 1473.76 3.688 59 1470.46 3.680 91 1466.25 3.669 136 1462.03 3.659 78 1441.70 3.608 77 1436.57 3.595 114 1432.18 3.584 89 1430.16 3.579 68 1427.78 3.573 43 1425.40 3.567 68 1424.49 3.565 70 1420.27 3.554 47
in DMSO-d6
in D2O
KBr disc
nujol mull
