PTH-L-GLUTAMIC ACID(5624-27-1) MS
Molecular FormulaC12H12N2O3S
Molecular Weight264.3
InChIInChI=1S/C12H12N2O3S/c15-10(16)7-6-9-11(17)14(12(18)13-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,15,16)
InChIKey ULKNJYDXLYMGFB-UHFFFAOYSA-N
SmilesC1(=S)N(C2=CC=CC=C2)C(=O)C(CCC(O)=O)N1
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Mass
MS-NW-2041
1-phenyl-5-oxo-2-thioxo-4-imidazolidinepropionic acid
C12H12N2O3S (Mass of molecular ion: 264)
Source Temperature: 210 °C
Sample Temperature: 200 °C
Direct, 75 eV
15.0 1.4
17.0 3.4
18.0 18.1
26.0 3.0
27.0 11.9
28.0 15.9
29.0 4.0
30.0 1.3
32.0 3.3
33.0 1.6
34.0 4.8
37.0 1.9
38.0 4.1
39.0 17.9
40.0 2.8
41.0 11.8
42.0 4.1
43.0 3.3
44.0 19.9
45.0 4.4
50.0 7.5
51.0 27.1
52.0 4.7
53.0 1.5
54.0 12.4
55.0 28.8
56.0 4.7
57.0 2.1
58.0 3.2
59.0 5.4
60.0 6.0
61.0 1.0
62.0 1.5
63.0 5.0
64.0 6.3
65.0 6.1
66.0 2.1
67.0 1.6
67.5 2.2
68.0 2.4
69.0 1.7
70.0 4.3
71.0 2.5
72.0 4.8
73.0 2.2
74.0 3.3
75.0 2.6
76.0 4.8
77.0 85.4
78.0 9.8
81.0 3.3
82.0 4.1
83.0 8.5
84.0 8.5
85.0 24.8
86.0 8.5
87.0 3.3
88.0 1.4
90.0 2.3
91.0 9.8
92.0 5.3
93.0 12.6
94.0 2.0
95.0 10.4
95.5 1.0
96.0 1.4
97.0 1.1
98.0 9.9
99.0 10.9
100.0 2.1
101.0 2.3
103.0 9.1
104.0 33.2
105.0 8.6
106.0 1.6
108.0 2.7
109.0 10.4
110.0 1.7
111.0 15.4
112.0 2.5
113.0 1.5
117.0 7.1
118.0 4.1
119.0 14.9
120.0 10.5
121.0 1.1
126.0 1.3
127.0 5.6
129.0 1.0
130.0 3.8
131.0 4.7
132.0 2.9
133.0 1.2
134.0 1.7
135.0 100.0
136.0 39.0
137.0 7.4
138.0 1.8
144.0 2.7
145.0 2.2
146.0 2.5
147.0 1.5
150.0 1.2
151.0 2.7
157.0 2.3
158.0 2.1
159.0 3.3
160.0 11.5
161.0 2.5
162.0 2.2
163.0 1.5
172.0 4.5
173.0 4.7
174.0 1.2
175.0 1.8
176.0 1.5
185.0 2.7
186.0 5.8
187.0 2.4
188.0 1.8
189.0 10.4
190.0 1.7
191.0 2.5
192.0 5.8
202.0 1.5
203.0 15.7
204.0 33.2
205.0 21.6
206.0 3.9
207.0 1.2
214.0 4.9
215.0 1.1
217.0 16.3
218.0 59.5
219.0 9.2
220.0 4.1
232.0 5.0
235.0 2.9
244.0 1.5
245.0 5.7
246.0 76.8
247.0 12.0
248.0 4.7
262.0 1.5
263.0 1.3
264.0 75.4
265.0 10.9
266.0 4.8
278.0 6.1
279.0 1.1