L-Asparagine(70-47-3) MS
Product NameL-Asparagine
CAS70-47-3
Molecular FormulaC4H8N2O3
Molecular Weight132.12
InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
InChIKey DCXYFEDJOCDNAF-REOHCLBHSA-N
SmilesC(O)(=O)[C@H](CC(N)=O)N
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MassMS-IW-2609 2-aminosuccinamic acid C4H8N2O3 (Mass of molecular ion: 132)
Source Temperature: 180 °C Sample Temperature: 190 °C Direct, 75 eV
14.0 1.2 15.0 6.9 16.0 7.1 17.0 12.7 18.0 38.2 26.0 2.6 27.0 7.0 28.0 32.2 29.0 3.8 30.0 9.6 39.0 1.1 40.0 3.9 41.0 10.3 42.0 38.2 43.0 47.9 44.0 100.0 45.0 11.1 46.0 4.1 53.0 1.3 54.0 1.1 55.0 3.3 59.0 19.9 60.0 2.7 69.0 1.9 70.0 33.2 71.0 2.6 72.0 1.1 74.0 6.7 86.0 10.6 87.0 100.0 88.0 6.2 114.0 4.8 115.0 1.9
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ppm Int. Assign.
175.46 452 1 174.32 288 2 52.45 512 3 35.73 1000 4Spectral Code: 13C NMR : in D2O (PH 7.67)
KBr disc
nujol mull
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Spectral Code: Raman : 4880 A,200 M,powder
