DL-PENICILLAMINE(52-66-4) IR1
Molecular FormulaC5H11NO2S
Molecular Weight149.21
InChIInChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1
InChIKey VVNCNSJFMMFHPL-GSVOUGTGSA-N
SmilesC(O)(=O)[C@H](C(S)(C)C)N
-
Mass
MS-NW-1902
DL-3-mercaptovaline
C5H11NO2S (Mass of molecular ion: 149)
Source Temperature: 210 °C
Sample Temperature: 160 °C
Direct, 75 eV
18.0 2.3
27.0 4.5
28.0 17.7
29.0 6.5
30.0 7.5
32.0 2.9
33.0 3.0
34.0 7.3
38.0 1.2
39.0 7.7
40.0 1.0
41.0 26.9
42.0 4.2
43.0 11.8
44.0 12.7
45.0 3.2
46.0 2.4
47.0 5.9
53.0 3.4
54.0 2.8
55.0 2.8
56.0 15.9
57.0 13.2
58.0 1.0
59.0 5.1
69.0 1.2
70.0 15.4
71.0 11.8
72.0 2.4
74.0 5.2
75.0 100.0
76.0 3.6
77.0 2.4
87.0 4.5
88.0 1.2
98.0 1.6
104.0 4.3
COPPER(II) COMPLEX, AT 77K