2-氨基巴比土酸-N,N-二乙酸一水合物(13055-06-6)核磁图(13CNMR)
InChI:InChI=1S/C8H9N3O7/c12-3(13)1-11(2-4(14)15)5-6(16)9-8(18)10-7(5)17/h5H,1-2H2,(H,12,13)(H,14,15)(H2,9,10,16,17,18)
InChIKey: QDHGQJQZPJPKJK-UHFFFAOYSA-N
Smiles:C(O)(=O)CN(CC(O)=O)C1C(=O)NC(=O)NC1=O
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Mass
MS-NW-2027
((2,4,6-trioxohexahydro-5-pyrimidinyl)imino)diacetic acid
C8H9N3O7 (H2O) (Mass of molecular ion: 259)
Source Temperature: 200 °C
Sample Temperature: 260 °C
Direct, 75 eV
12.0 2.5
14.0 1.0
15.0 4.9
16.0 5.4
17.0 12.3
18.0 59.6
22.0 1.3
26.0 3.2
27.0 6.3
28.0 62.6
29.0 6.9
30.0 5.8
31.0 1.4
32.0 1.5
36.0 1.3
39.0 1.8
40.0 3.0
41.0 6.2
42.0 14.5
43.0 33.0
44.0 100.0
45.0 2.0
53.0 1.1
54.0 4.0
55.0 3.9
56.0 6.9
57.0 3.2
58.0 1.5
67.0 1.0
68.0 2.1
69.0 1.6
70.0 2.4
71.0 1.5
72.0 1.0
83.0 1.2
84.0 1.1
85.0 1.9
98.0 1.3
99.0 1.7
100.0 1.0
112.0 1.2
113.0 1.0
114.0 4.9
126.0 1.9
128.0 2.7
140.0 2.9
142.0 2.6
155.0 1.2
156.0 1.7
169.0 1.8