阿斯巴甜(22839-47-0)紅外圖譜(IR1)
分子式:C14H18N2O5
分子量: 294.31
InChI:InChI=1/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/s3
InChIKey: IAOZJIPTCAWIRG-ZOMVLEFPNA-N
Smiles:[C@H](C(=O)OC)(NC(=O)[C@@H](N)CC(=O)O)CC1C=CC=CC=1 |&1:0,8,r|
-

Mass
MS-NW-7876
L-alpha-aspartyl-L-phenylalanine 1-methyl ester
C14H18N2O5 (Mass of molecular ion: 294)
Source Temperature: 200 °C
Sample Temperature: 190 °C
Direct, 75 eV
18.0 1.6
27.0 1.8
28.0 7.9
39.0 2.4
41.0 1.6
42.0 3.0
43.0 4.9
44.0 1.8
51.0 2.0
55.0 3.0
57.0 1.2
60.0 1.6
63.0 1.2
65.0 7.1
70.0 6.7
77.0 3.2
78.0 1.5
83.0 1.6
88.0 5.6
89.0 2.0
90.0 1.3
91.0 100.0
92.0 13.6
97.0 9.5
103.0 3.5
104.0 2.3
117.0 1.3
118.0 1.8
119.0 1.3
120.0 5.7
125.0 4.9
128.0 1.3
131.0 3.7
132.0 1.0
143.0 11.0
144.0 1.2
146.0 1.0
162.0 1.0
171.0 12.1
172.0 1.2
262.0 27.7
263.0 4.7