L-Aspartic acid (56-84-8) IR2
Product NameL-Aspartic acid
CAS56-84-8
Molecular FormulaC4H7NO4
Molecular Weight133.1
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey CKLJMWTZIZZHCS-REOHCLBHSA-N
SmilesC(O)(=O)[C@H](CC(O)=O)N
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MassMS-IW-0985 L-aspartic acid C4H7NO4 (Mass of molecular ion: 133)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
15.0 4.0 17.0 2.3 18.0 17.2 19.0 1.0 27.0 3.4 28.0 29.2 29.0 2.1 30.0 6.2 40.0 1.3 41.0 3.5 42.0 13.4 43.0 46.6 44.0 5.9 45.0 5.4 46.0 15.5 55.0 1.1 60.0 3.4 70.0 58.1 71.0 2.9 74.0 11.3 87.0 6.4 88.0 100.0 89.0 4.4 115.0 2.0 134.0 1.6
in D2O (PH 9.93)
in D2O (PH 7.50)
in D2O (PH 2.85)
KBr disc
nujol mull
4880 A,200 M,powder
