MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002769
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002769
RECORD_TITLE: 6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTANONE; 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$NAME: 6-DIMETHYLAMINO-4,4-DIPHENYL-3-HEPTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H27NO
CH$EXACT_MASS: 309.20926
CH$SMILES: CN(C)C(C)CC(C(=O)CC)(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
CH$LINK: INCHIKEY
USSIQXCVUWKGNF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7023273
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: splash10-00di-9310000000-d71659ee33e210178a79
PK$NUM_PEAK: 170
PK$PEAK: m/z int. rel.int.
25 1.2 12
26 2.6 26
27 5.2 52
28 3.09 31
29 5.3 53
30 1.7 17
32 2.2 22
37 0.07 1
38 1 10
39 3.2 32
40 1.4 14
41 0.36 4
42 7.8 78
43 2.8 28
44 5.7 57
45 0.14 1
50 1.4 14
51 3 30
52 1.4 14
53 0.01 0
54 1.2 12
55 1.9 19
56 5 50
57 0.04 0
58 2.4 24
59 0.4 4
60 0.2 2
61 0.02 0
62 1 10
63 2 20
64 1 10
65 0.18 2
66 0.2 2
67 0.5 5
68 0.4 4
69 0.01 0
70 3.9 39
71 3.4 34
72 99.99 999
73 0.58 6
74 1.1 11
75 1.4 14
76 2.2 22
77 0.04 0
78 2.2 22
79 1.2 12
80 0.4 4
81 0.09 1
82 1.3 13
83 0.8 8
84 1 10
85 0.24 2
86 1.2 12
87 1 10
88 1 10
89 0.29 3
90 0.4 4
91 6.7 67
92 1.4 14
93 0.02 0
94 0.2 2
95 0.3 3
96 0.2 2
101 0.11 1
102 1.9 19
103 1.9 19
104 1.1 11
105 0.34 3
106 1 10
107 0.4 4
108 0.2 2
109 0.04 0
114 0.2 2
115 4.2 42
116 1.3 13
117 0.02 0
118 0.4 4
119 0.3 3
121 1 10
122 0.02 0
123 0.1 1
126 1 10
127 1.2 12
128 0.22 2
129 2.7 27
130 1.4 14
131 1.2 12
132 0.02 0
139 1.4 14
140 0.2 2
141 0.9 9
142 0.04 0
143 1.1 11
144 0.4 4
145 1 10
146 0.06 1
150 0.9 9
151 1.4 14
152 2.9 29
153 0.14 1
154 0.4 4
155 0.2 2
159 0.1 1
160 0.02 0
163 1.1 11
164 1.4 14
165 10.4 104
166 0.26 3
167 3.7 37
168 1.4 14
169 0.4 4
175 0.04 0
176 1.8 18
177 1.1 11
178 7 70
179 0.69 7
180 7.2 72
181 1.6 16
182 0.4 4
187 0.11 1
188 0.4 4
189 1.4 14
190 1.2 12
191 0.24 2
192 1.6 16
193 2 20
194 1.4 14
195 0.18 2
196 0.4 4
200 0.2 2
201 1.1 11
202 0.14 1
203 1.3 13
204 1.5 15
205 1.6 16
206 0.12 1
207 1.9 19
208 1.3 13
209 0.2 2
215 0.09 1
216 0.9 9
217 0.4 4
218 0.8 8
219 0.08 1
220 0.8 8
221 1 10
222 1.1 11
223 0.27 3
224 1.4 14
231 0.6 6
232 0.3 3
233 0.02 0
234 0.1 1
235 0.4 4
236 0.4 4
248 0.01 0
249 0.3 3
250 0.4 4
251 0.2 2
252 0.01 0
263 0.3 3
264 0.2 2
265 1.8 18
266 0.09 1
267 0.2 2
294 1.7 17
295 0.8 8
296 0.02 0
309 0.2 2
310 0.1 1
//