MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003109
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003109
RECORD_TITLE: DIETHYLPROPION, DONYLEN,DOBESIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYLPROPION, DONYLEN,DOBESIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H19NO
CH$EXACT_MASS: 205.14666
CH$SMILES: CCN(CC)C(C)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H19NO/c1-4-14(5-2)11(3)13(15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3
CH$LINK: INCHIKEY
XXEPPPIWZFICOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022929
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0udi-9600000000-6ee5a640521355e9e385
PK$NUM_PEAK: 139
PK$PEAK: m/z int. rel.int.
24 0.1 1
25 0.9 9
26 4.3 43
27 1.21 12
28 35.3 353
29 11.9 119
30 4.3 43
31 0.01 0
32 1.7 17
35 0.3 3
36 1.7 17
37 0.07 1
38 1.1 11
39 4.1 41
40 1.7 17
41 0.59 6
42 14.9 149
43 3.4 34
44 28.3 283
45 0.11 1
49 0.3 3
50 4.4 44
51 11.7 117
52 0.26 3
53 0.9 9
54 1.8 18
55 2.7 27
56 1.09 11
57 2.3 23
58 3.3 33
59 0.1 1
61 0.01 0
62 0.7 7
63 1.7 17
64 0.8 8
65 0.15 2
66 0.3 3
67 0.5 5
68 1.6 16
69 0.11 1
70 6.7 67
71 1.7 17
72 20 200
73 0.16 2
74 1.3 13
75 1.4 14
76 2.1 21
77 1.79 18
78 5.8 58
79 2.1 21
80 0.1 1
81 0.04 0
82 0.1 1
83 0.8 8
84 1.3 13
85 0.08 1
86 1.3 13
87 0.2 2
88 0.1 1
89 0.18 2
90 0.9 9
91 4 40
92 0.9 9
93 0.03 0
95 0.3 3
96 0.1 1
97 0.3 3
98 0.26 3
99 1 10
100 99.99 999
101 8.3 83
102 0.17 2
103 1.9 19
104 2.6 26
105 14.9 149
106 0.22 2
107 0.3 3
114 0.1 1
115 4.4 44
116 0.21 2
117 2.1 21
118 1.3 13
119 0.3 3
120 0.07 1
121 0.1 1
126 0.3 3
127 0.7 7
128 0.13 1
129 1.4 14
130 1.2 12
131 1.4 14
132 0.17 2
133 1.1 11
134 1.7 17
135 0.3 3
139 0.01 0
141 0.2 2
142 0.2 2
143 0.9 9
144 0.13 1
145 0.4 4
146 0.7 7
147 0.5 5
154 0.05 1
155 0.1 1
156 0.9 9
157 0.5 5
158 0.05 1
159 0.8 8
160 0.8 8
161 0.1 1
162 0.19 2
163 0.3 3
167 0.3 3
168 0.4 4
169 0.01 0
170 0.6 6
171 0.1 1
172 0.8 8
173 0.02 0
174 0.3 3
175 0.2 2
176 0.5 5
177 0.01 0
181 0.1 1
183 0.2 2
184 0.4 4
185 0.11 1
186 1.1 11
187 0.3 3
188 0.8 8
189 0.09 1
190 0.3 3
201 0.3 3
202 0.8 8
203 0.03 0
204 0.4 4
205 0.5 5
206 0.1 1
//