維生素U(3493-12-7)質(zhì)譜(MS)
分子式:C6H14ClNO2S
分子量: 199.7
InChI:InChI=1S/C6H13NO2S.ClH/c1-10(2)4-3-5(7)6(8)9;/h5H,3-4,7H2,1-2H3;1H
InChIKey: MYGVPKMVGSXPCQ-UHFFFAOYSA-N
Smiles:C(N)(C(=O)O)CC[S+](C)C.[Cl-]
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Mass
MS-NW-4555
Vitamin U chloride
C6H14ClNO2S (Mass of molecular ion: 199)
Source Temperature: 130 °C
Sample Temperature: 110 °C
Direct, 75 eV
13.0 2.0
14.0 5.4
15.0 23.9
17.0 2.2
17.5 1.3
18.0 11.2
25.0 1.0
26.0 5.9
26.5 1.5
27.0 37.8
27.5 2.4
28.0 53.4
29.0 20.0
30.0 28.6
31.0 1.2
32.0 1.3
33.0 1.0
34.0 1.4
35.0 33.5
36.0 84.5
37.0 4.3
38.0 26.8
39.0 3.7
40.0 2.8
41.0 7.3
42.0 30.2
43.0 100.0
44.0 15.6
45.0 49.3
46.0 42.3
47.0 91.2
48.0 4.3
49.0 5.8
50.0 14.5
52.0 4.6
54.0 3.5
55.0 6.5
56.0 50.4
57.0 78.5
58.0 3.4
59.0 3.8
61.0 48.5
62.0 80.7
63.0 4.5
64.0 3.6
71.0 1.0
72.0 2.1
73.0 3.0
74.0 5.6
75.0 4.9
83.0 3.8
87.0 1.5
88.0 2.0
101.0 7.4
104.0 3.0
114.0 1.1
116.0 1.8
131.0 3.5
149.0 3.5