MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009211
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009211
RECORD_TITLE: CYCLOPENTADECANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: CYCLOPENTADECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H28O
CH$EXACT_MASS: 224.21402
CH$SMILES: O=C(C1)CCCCCCCCCCCCC1
CH$IUPAC: InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2
CH$LINK: INCHIKEY
OSOIQJGOYGSIMF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2047141
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4l-9100000000-f2196c24c51674809d3d
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
27 16.96 170
29 32.56 326
39 18.22 182
41 99.99 999
42 29.84 298
43 43.44 434
53 7.11 71
54 12.78 128
55 92.71 927
56 22.29 223
57 16.95 170
58 67.74 677
59 27.93 279
65 1.39 14
66 1.8 18
67 20.88 209
68 16.74 167
69 33.07 331
70 16.45 165
71 72.13 721
72 5.84 58
77 1.43 14
78 1.03 10
79 5.37 54
80 10.47 105
81 19.62 196
82 26.3 263
83 24.42 244
84 17.39 174
85 11.46 115
86 1.44 14
93 4.08 41
94 8.87 89
95 14.33 143
96 24.06 241
97 19.24 192
98 21.43 214
99 3.32 33
100 3.02 30
107 3.29 33
108 5.6 56
109 5.56 56
110 13.04 130
111 14.26 143
112 3.88 39
113 2.87 29
114 1.92 19
121 5.98 60
122 3.51 35
123 3.31 33
124 6.72 67
125 14.53 145
126 1.73 17
127 2.7 27
128 2.3 23
135 6.33 63
136 2.66 27
137 1.95 20
138 3 30
139 2.77 28
141 1.26 13
142 2.49 25
149 4.23 42
150 2.01 20
153 1.03 10
156 1.39 14
163 2.37 24
164 3.35 34
166 5.93 59
167 1.78 18
169 1.01 10
177 1.31 13
181 1.59 16
206 2.87 29
209 1.22 12
224 17.83 178
225 2.95 30
//