2,6-二羥基嘌呤(69-89-6)質(zhì)譜(MS)
InChI:InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKey: LRFVTYWOQMYALW-UHFFFAOYSA-N
Smiles:N1C2=C(NC(=O)NC2=O)NC=1
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Mass
MS-NW-8152
xanthine
C5H4N4O2 (Mass of molecular ion: 152)
Source Temperature: 190 °C
Sample Temperature: 240 °C
Direct, 75 eV
17.0 1.2
18.0 5.7
26.0 1.1
27.0 14.3
28.0 30.9
29.0 1.7
38.0 3.0
39.0 2.7
41.0 1.3
42.0 1.9
43.0 4.9
44.0 5.5
52.0 2.3
53.0 23.0
54.0 100.0
55.0 5.5
69.0 1.8
70.0 5.9
80.0 3.1
81.0 8.9
82.0 4.4
109.0 63.3
110.0 4.2
134.0 1.2
152.0 71.5
153.0 5.6