S-烯丙基-L-半胱氨酸(21593-77-1)核磁圖(1HNMR)
分子式:C6H11NO2S
分子量: 161.22
InChI:InChI=1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
InChIKey: ZFAHNWWNDFHPOH-YFKPBYRVSA-N
Smiles:C(O)(=O)[C@H](CSCC=C)N
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Mass
MS-IW-8801
3-allylthio-L-alanine
C6H11NO2S (Mass of molecular ion: 161)
Source Temperature: 180 °C
Sample Temperature: 180 °C
Direct, 75 eV
15.0 2.3
16.0 1.0
17.0 3.1
18.0 11.6
26.0 2.5
27.0 6.5
28.0 19.3
29.0 2.2
30.0 12.9
32.0 1.2
33.0 1.0
34.0 2.9
37.0 1.5
38.0 3.4
39.0 24.4
40.0 7.5
41.0 77.0
42.0 18.2
43.0 15.1
44.0 9.9
45.0 37.9
46.0 9.0
47.0 9.2
48.0 2.1
53.0 10.0
54.0 2.0
55.0 3.0
56.0 3.1
57.0 2.2
58.0 3.3
59.0 6.9
60.0 1.6
61.0 1.3
64.0 1.2
65.0 1.0
68.0 1.2
69.0 1.7
70.0 2.0
71.0 10.9
72.0 16.2
73.0 17.3
74.0 83.8
75.0 6.9
76.0 3.6
82.0 1.4
85.0 8.8
86.0 1.5
87.0 100.0
88.0 58.7
89.0 32.9
90.0 4.2
97.0 1.6
98.0 4.2
99.0 1.4
100.0 1.1
102.0 1.0
103.0 1.4
114.0 4.6
115.0 2.2
116.0 8.6
132.0 6.6
144.0 1.6
161.0 6.7
162.0 1.1