4-硝基苯基-2-乙酰胺基-2-脫氧-B-D-吡喃葡糖霉(3459-18-5)質(zhì)譜(MS)
分子式:C14H18N2O8
分子量: 342.3
InChI:InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/s3
InChIKey: OMRLTNCLYHKQCK-DOSMMQPLNA-N
Smiles:O(C1C=CC(N(=O)=O)=CC=1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C |&1:10,12,15,17,19,r|
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Mass
MS-IW-1190
p-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
C14H18N2O8 (Mass of molecular ion: 342)
Source Temperature: 190 °C
Sample Temperature: 190 °C
Direct, 75 eV
15.0 5.0
17.0 1.6
18.0 8.3
19.0 2.4
26.0 2.0
27.0 6.7
28.0 12.2
29.0 7.5
30.0 6.7
31.0 6.6
37.0 1.7
38.0 4.8
39.0 28.2
40.0 2.3
41.0 4.9
42.0 17.3
43.0 49.8
44.0 4.7
45.0 4.1
46.0 1.1
50.0 3.2
51.0 3.2
52.0 3.4
53.0 9.3
54.0 3.9
55.0 11.7
56.0 7.8
57.0 8.3
58.0 4.9
59.0 41.2
60.0 26.6
61.0 6.4
62.0 4.2
63.0 9.1
64.0 4.4
65.0 44.8
66.0 3.9
67.0 1.2
68.0 2.3
69.0 3.1
70.0 3.8
71.0 6.4
72.0 13.1
73.0 25.1
74.0 4.2
75.0 1.8
79.0 1.4
80.0 2.5
81.0 11.3
82.0 2.3
83.0 41.7
84.0 100.0
85.0 11.0
86.0 2.9
87.0 8.4
88.0 11.3
92.0 1.5
93.0 16.2
94.0 1.7
95.0 1.3
96.0 5.0
97.0 4.5
98.0 3.9
99.0 2.9
100.0 3.7
101.0 12.7
102.0 2.9
103.0 1.1
107.0 1.2
108.0 1.2
109.0 22.6
110.0 2.2
111.0 1.0
112.0 7.6
113.0 3.3
114.0 14.6
115.0 5.2
116.0 1.6
123.0 5.2
124.0 1.9
125.0 2.6
126.0 5.3
127.0 1.5
130.0 18.4
131.0 1.4
132.0 1.1
138.0 2.6
139.0 81.3
140.0 8.3
141.0 3.7
142.0 2.5
143.0 1.3
144.0 5.0
145.0 1.3
154.0 2.6
161.0 2.3
168.0 1.9
172.0 1.3
174.0 1.0
185.0 1.3
186.0 3.4
203.0 1.1
204.0 3.5