1-金剛烷乙酸(4942-47-6)質(zhì)譜(MS)
InChI:InChI=1S/C12H18O2/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,13,14)
InChIKey: AOTQGWFNFTVXNQ-UHFFFAOYSA-N
Smiles:C12(CC(O)=O)CC3CC(CC(C3)C1)C2
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Mass
MS-IW-4307
tricyclo(3.3.1.1(3,7))decane-1-acetic acid
C12H18O2 (Mass of molecular ion: 194)
Source Temperature: 160 °C
Sample Temperature: 120 °C
Direct, 75 eV
39.0 1.7
41.0 3.0
53.0 1.4
55.0 1.7
65.0 1.0
67.0 3.4
77.0 2.8
79.0 8.7
80.0 1.0
81.0 2.4
91.0 6.1
92.0 2.4
93.0 9.2
94.0 1.0
105.0 1.5
107.0 4.0
135.0 100.0
136.0 11.3
194.0 4.9