野百合堿(315-22-0)質(zhì)譜(MS)
分子式:C16H23NO6
分子量: 325.36
InChI:InChI=1S/C16H23NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-/m0/s1
InChIKey: QVCMHGGNRFRMAD-XFGHUUIASA-N
Smiles:N12CC=C3COC(=O)[C@@](O)(C)[C@@](O)(C)[C@@H](C)C(=O)O[C@@]([H])([C@]13[H])CC2
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Mass
MS-NW-9106
monocrotaline
C16H23NO6 (Mass of molecular ion: 325)
Source Temperature: 230 °C
Sample Temperature: 170 °C
Direct, 75 eV
15.0 1.7
17.0 2.4
18.0 13.6
27.0 4.2
28.0 5.6
29.0 4.0
39.0 2.7
41.0 6.2
42.0 3.0
43.0 31.3
44.0 4.5
45.0 3.4
51.0 1.0
52.0 1.3
53.0 6.5
54.0 2.6
55.0 4.3
56.0 2.3
57.0 5.9
65.0 2.2
66.0 2.2
67.0 6.1
68.0 2.8
69.0 1.3
70.0 1.3
71.0 1.1
72.0 2.0
77.0 2.7
78.0 1.5
79.0 3.1
80.0 14.9
81.0 3.8
82.0 3.6
83.0 2.4
87.0 2.0
89.0 1.0
90.0 1.6
91.0 2.9
92.0 3.1
93.0 48.8
94.0 30.5
95.0 19.7
96.0 2.0
98.0 2.2
99.0 5.0
104.0 3.0
105.0 1.2
106.0 8.4
107.0 2.2
108.0 9.8
109.0 5.7
110.0 1.0
111.0 1.4
115.0 1.8
117.0 4.0
118.0 9.1
119.0 73.0
120.0 100.0
121.0 23.5
122.0 5.1
123.0 3.0
124.0 1.2
136.0 48.6
137.0 18.3
138.0 11.9
139.0 2.3
140.0 3.8
148.0 1.1
157.0 7.9
164.0 2.3
165.0 2.0
166.0 1.6
183.0 2.2
192.0 1.4
193.0 2.4
194.0 2.8
195.0 1.0
236.0 50.1
237.0 16.0
238.0 4.8
254.0 2.5
325.0 1.6