N-Cbz-L-histidine(14997-58-1) MS
Molecular FormulaC14H15N3O4
Molecular Weight289.29
InChIInChI=1S/C14H15N3O4/c18-13(19)12(6-11-7-15-9-16-11)17-14(20)21-8-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8H2,(H,15,16)(H,17,20)(H,18,19)/t12-/m0/s1
InChIKey WCOJOHPAKJFUDF-LBPRGKRZSA-N
SmilesC(O)(=O)[C@H](CC1N=CNC=1)NC(OCC1=CC=CC=C1)=O
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Mass
MS-NW-2551
N(alpha)-benzyloxycarbonyl-L-histidine
C14H15N3O4 (Mass of molecular ion: 289)
Source Temperature: 230 °C
Sample Temperature: 170 °C
Direct, 75 eV
16.0 1.7
17.0 1.2
18.0 6.2
26.0 2.3
27.0 6.9
28.0 11.4
29.0 3.8
31.0 3.2
37.0 2.1
38.0 3.5
39.0 13.3
40.0 2.5
41.0 3.1
42.0 1.2
43.0 1.0
44.0 39.0
49.0 1.1
50.0 9.0
51.0 20.6
52.0 7.3
53.0 7.0
53.5 1.2
54.0 8.3
55.0 3.5
61.0 1.0
62.0 2.4
63.0 5.7
64.0 1.6
65.0 10.8
66.0 1.9
74.0 2.7
75.0 1.5
76.0 1.4
77.0 48.5
78.0 10.9
79.0 100.0
80.0 11.3
81.0 53.0
82.0 21.6
83.0 2.0
89.0 6.8
90.0 8.5
91.0 50.7
92.0 5.4
93.0 1.2
94.0 2.6
105.0 3.9
106.0 1.4
107.0 61.8
108.0 86.0
109.0 16.0
110.0 6.3
135.0 1.5
136.0 2.4
137.0 2.7
138.0 4.7
171.0 8.0
172.0 1.8
181.0 2.3
200.0 1.1