L-Alanine(56-41-7) MS
Molecular FormulaC3H7NO2
Molecular Weight89.09
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKey QNAYBMKLOCPYGJ-REOHCLBHSA-N
SmilesC(O)(=O)[C@H](C)N
-
MassMS2014-05095CW L-alanine C3H7NO2 (Mass of molecular ion: 89)
Source Temperature: 250 °C Sample Temperature: 25 °C Direct, 70 eV
15.0 1.7 18.0 10.0 27.0 3.4 28.0 10.6 29.0 1.4 40.0 2.4 41.0 4.0 42.0 12.6 43.0 3.9 44.0 100.0 45.0 3.5 46.0 2.1 55.0 1.0 74.0 3.5
400 MHz in D2O
-
1H NMR 399.65 MHz C3 H7 N O2 0.037 g : 0.5 ml D2O L-alanine 
Assign. Shift(ppm)
A 3.787 B 1.482 SOLVENT PEAK SUPPRESSED
Hz ppm Int.1524.41 3.815 92 1517.21 3.797 293 1510.01 3.779 297 1502.69 3.761 99 595.83 1.491 1000 588.62 1.473 962
in D2O (PH 1.20)
in D2O (PH 6.38)
in D2O (PH 9.39)
KBr disc
nujol mull
4880 A,200 M,powder
