二茂鐵基乙酸(1287-16-7)質(zhì)譜(MS)
分子式:C12H12FeO2
分子量: 244.07
InChI:InChI=1S/C7H7O2.C5H5.Fe/c8-7(9)5-6-3-1-2-4-6;1-2-4-5-3-1;/h1-4H,5H2,(H,8,9);1-5H;
InChIKey: DLJGQTUEZOSNKQ-UHFFFAOYSA-N
Smiles:[C]1(CC(=O)O)[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe] |^1:0,5,6,7,8,9,10,11,12,13|
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Mass
MS-KW-0572
ferroceneacetic acid
C12H12FeO2 (Mass of molecular ion: 244)
Source Temperature: 170 °C
Sample Temperature: 130 °C
Direct, 75 eV
18.0 4.8
28.0 1.9
39.0 3.9
44.0 4.7
51.0 2.8
52.0 1.7
54.0 1.7
56.0 26.6
57.0 1.7
65.0 2.3
66.0 2.6
71.0 1.3
73.0 19.2
77.0 4.9
78.0 6.2
79.0 2.8
81.0 4.5
82.0 1.1
93.0 1.0
94.0 3.0
95.0 3.8
105.0 2.1
106.0 13.9
107.0 2.1
115.0 2.4
119.0 3.2
120.0 2.4
121.0 45.2
122.0 8.6
132.0 2.5
133.0 1.5
134.0 11.4
135.0 1.6
138.0 10.7
139.0 1.9
141.0 2.8
142.0 1.5
149.0 2.1
150.0 1.3
151.0 28.2
152.0 2.5
168.0 1.0
172.0 1.2
178.0 3.9
179.0 11.2
180.0 1.2
186.0 1.1
196.0 1.9
197.0 4.1
198.0 4.6
199.0 33.6
200.0 17.2
201.0 2.3
226.0 2.2
242.0 6.6
243.0 1.6
244.0 100.0
245.0 15.9
246.0 1.9