Simazine(122-34-9) MS
Molecular FormulaC7H12ClN5
Molecular Weight201.66
InChIInChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKey ODCWYMIRDDJXKW-UHFFFAOYSA-N
SmilesN1=C(Cl)N=C(NCC)N=C1NCC
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Mass
MS-IW-7131
6-chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine
C7H12ClN5 (Mass of molecular ion: 201)
Source Temperature: 160 °C
Sample Temperature: 140 °C
Direct, 75 eV
15.0 1.3
27.0 6.8
28.0 8.3
29.0 10.8
30.0 4.3
41.0 1.9
42.0 6.8
43.0 27.0
44.0 79.9
45.0 3.2
53.0 2.6
54.0 1.5
55.0 12.0
56.0 1.3
58.0 2.4
62.0 4.4
64.0 1.4
67.0 1.7
68.0 24.9
69.0 11.3
70.0 3.4
71.0 23.9
72.0 1.0
79.0 1.8
80.0 1.5
81.0 2.2
83.0 2.1
85.5 24.5
86.0 1.8
86.5 8.1
87.0 4.7
89.0 1.8
90.0 2.0
91.0 13.1
92.0 1.0
92.5 4.6
93.0 12.8
93.5 1.9
94.0 5.3
95.0 2.8
96.0 22.6
97.0 3.2
104.0 8.2
105.0 3.1
106.0 2.7
107.0 1.1
110.0 3.7
116.0 1.2
117.0 5.2
119.0 1.8
122.0 4.6
123.0 8.7
129.0 2.7
130.0 3.7
131.0 3.0
132.0 11.7
133.0 1.2
134.0 3.7
136.0 1.2
137.0 1.3
138.0 19.2
139.0 1.8
143.0 4.8
144.0 1.1
145.0 12.4
146.0 1.2
147.0 3.7
157.0 1.8
158.0 25.2
159.0 4.8
160.0 8.3
161.0 1.4
166.0 3.4
172.0 13.3
173.0 44.1
174.0 7.8
175.0 16.5
176.0 1.3
186.0 56.6
187.0 4.9
188.0 18.2
189.0 1.8
200.0 14.0
201.0 100.0
202.0 15.6
203.0 32.7
204.0 3.7