MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008313
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008313
RECORD_TITLE: HEXADECALACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: HEXADECALACTONE
CH$NAME: 1-OXACYCLOHEPTADECANE-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H30O2
CH$EXACT_MASS: 254.22458
CH$SMILES: O=C(C1)OCCCCCCCCCCCCCC1
CH$IUPAC: InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
CH$LINK: INCHIKEY
LOKPJYNMYCVCRM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4047622
AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0537-9200000000-8b37704b6f477b82520b
PK$NUM_PEAK: 140
PK$PEAK: m/z int. rel.int.
27 11.88 119
28 4.61 46
29 32.39 324
31 0.88 9
39 11.17 112
40 3.61 36
41 83.66 837
42 21.91 219
43 50.88 509
44 1.92 19
45 1.5 15
53 4.7 47
54 12.08 121
55 99.99 999
56 33.18 332
57 31.28 313
58 8.08 81
59 3.74 37
60 8.69 87
61 4.53 45
65 0.5 5
66 2.11 21
67 20 200
68 23.22 232
69 57.49 575
70 27.48 275
71 20.53 205
72 1.24 12
73 17.47 175
74 1.8 18
79 2.75 28
80 4.06 41
81 23.39 234
82 41.65 417
83 56.63 566
84 30.74 307
85 8.33 83
86 0.9 9
87 5.19 52
91 1.12 11
93 1.99 20
94 4.04 40
95 16.15 162
96 34.53 345
97 37.35 374
98 27.67 277
99 4.56 46
100 4.22 42
101 7.87 79
102 1.35 14
105 0.35 4
107 1.8 18
108 2.87 29
109 10.22 102
110 14.11 141
111 18.29 183
112 8.43 84
113 5.26 53
114 7.39 74
115 5.21 52
116 6.21 62
117 0.46 5
119 2.07 21
120 0.48 5
121 2.41 24
122 2.31 23
123 9.23 92
124 11.14 111
125 9.32 93
126 4.18 42
127 5.58 56
128 1.95 20
129 6.94 69
130 1.2 12
133 1.91 19
134 1.63 16
135 2.54 25
136 1.73 17
137 5.91 59
138 8.7 87
139 5.55 56
140 2.62 26
141 2.33 23
142 1.24 12
143 1.72 17
144 0.41 4
147 1.1 11
148 1.78 18
149 2.14 21
150 1 10
151 4.74 47
152 7.37 74
153 3.35 34
154 1.36 14
155 2 20
156 0.72 7
157 0.59 6
158 1.32 13
161 0.94 9
162 0.42 4
163 0.67 7
164 0.9 9
165 3.46 35
166 4.08 41
167 1.82 18
168 0.34 3
169 1.01 10
171 0.95 10
172 2.02 20
173 0.45 5
175 0.47 5
179 2.03 20
180 1.06 11
181 1.11 11
182 0.65 7
183 0.46 5
185 2.27 23
186 1.1 11
187 0.63 6
189 0.27 3
190 0.37 4
192 3.67 37
193 2.17 22
194 7.5 75
195 1.99 20
197 0.8 8
207 1.09 11
208 2.41 24
209 0.35 4
211 1.92 19
212 0.16 2
218 1.88 19
219 0.38 4
225 0.46 5
226 0.28 3
236 12.15 122
237 2.26 23
253 0.28 3
254 8.59 86
255 1.77 18
//