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Chapter – 3 Preparation of small library…..
3.6.1.2 FRAGMENTATION PATTERN FOR DNJ-1401
279 m/e
O
N
N
H
1-acetyl-3-(1, 3-benzothiazol-2-ylimino)-1, 3-dihydro-2H-indol-2-one
(DNJ-1501)
N
104 m/e
CH 3
N
O
S
17
16
15
11
18
19
14
12
N
13
21
O
20
27
26
N
22
23
O 25
[11]
24
17
16
15
N
10
11
N
3
2
S
1
9
8
4
7
5
6
17
16
15
N
10
11
N
3
2
S
1
9
8
4
7
5
6
17
16
15
N
10
11
N
3
2
S
1
9
8
4
7
5
6
[1]
18
19
14
12
N
13
O
20
[2]
18
19
14
12
N
13
O
20
[3]
18
19
14
12
N
13
O
20
[4]
21
27
N
22
26
23
17
18
O 25
16
19
24
21
27
N
22
26
23
O 25
NH
10
11
S
15
14
12
N
13
O
20
24
H3C 24
1. The target compound showed characteristic molecular ion peak.
2. C21-N13 bond cleavage gave characteristic peak at 278 m/e. [1]
3. C2-N10 bond cleavage gave two characteristic peaks at 189 m/e (base
peak) and 134 m/e. [2]
4. After C2-N10 bond cleavage, C11-N10 bond cleavage gave characteristic
peak at 176 m/e. [3]
5. After C11-N10 bond cleavage, C21-C23 bond cleavage gave
characteristic peak at 161 m/e. [4]
6. After C21-C23 bond cleavage, C21-C22 bond cleavage gave
characteristic peak at 146 m/e. [5]
Department of Chemistry, Saurashtra University, Rajkot – 360 005 165
21
27
N
22
H3C 26
23
17
16
15
+. 11
17
16
15
+. 11
17
16
15
11 +.
18
19
14
12
N
13
O
20
[12]
18
19
14
12
N
13
O
20
[13]
18
19
14
12
N
13
O
20
21
21
21
27
H3C 26
N
22
23
27
H3C 26
N
22
CH3 23
H3C 27 N
22
CH3 23
H3C 24
186 m/e
213 m/e
+.
+.
234 m/e
[10]
+.
[9]
249 m/e
205 m/e
378 m/e
+.
N
132 m/e
132 m/e
+. +.
17
18
16
19
CH 3
21
H3C 26
16
2
11
N 5
17 15
10
S
12 O 16
11
1
18 14
20 17 15
19 N
12 O
H 18 14
20
13
19 N
H
13
[14]
[15]
365 m/e
N
H
+.
121 m/e
[8]
N 3
N 3
15
N
10
11
2
S
1
14
12
N
13
O
20
290 m/e
+. +.
27
4
4
5
N 22
353 m/e
279 m/e
9
9
21
CH 3
23
6
6
8
8
7
7
[7]
+.
+.
17
18
17
18
17
18
16
19
H3C 27
16
19
[5]
H3C 27
16
19
N 22
21
CH 3
23
N 3
15
N
10
11
2
S
1
14
12
N
13
O
20
NH
22
21
N 3
15
N
10
11
2
S
1
14
12
N
13
O
20
[6]
H2N 22
21
N 3
15
N
10
11
2
S
1
14
12
N
13
O
20
4
4
4
5
333 m/e
5
318 m/e
307 m/e
5
9
9
9
6
6
6
8
8
8
7
7
7
+.
+.
+.