Boc-beta-alanine(3303-84-2) MS
Molecular FormulaC8H15NO4
Molecular Weight189.21
InChIInChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9-5-4-6(10)11/h4-5H2,1-3H3,(H,9,12)(H,10,11)
InChIKey WCFJUSRQHZPVKY-UHFFFAOYSA-N
SmilesC(=O)(NCCC(=O)O)OC(C)(C)C
-
Mass
MS2001-00155WA
N-(tert-butoxycarbonyl)-beta-alanine
C8H15NO4 (Mass of molecular ion: 177)
Source Temperature: 220 °C
Sample Temperature: 30 °C
Direct, 70 eV
15.0 4.0
18.0 1.2
26.0 1.7
27.0 12.4
28.0 11.7
29.0 19.3
30.0 8.4
31.0 6.3
38.0 1.0
39.0 16.2
40.0 3.5
41.0 42.4
42.0 10.1
43.0 22.2
44.0 2.5
45.0 12.5
53.0 1.5
55.0 4.1
56.0 7.3
57.0 100.0
58.0 4.5
59.0 43.5
60.0 8.9
70.0 6.8
72.0 2.9
74.0 3.6
87.0 3.3
88.0 5.3
89.0 1.5
90.0 7.7
98.0 13.8
115.0 1.1
116.0 14.7
130.0 3.6
132.0 1.8
133.0 12.3
134.0 9.1