MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001560
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001560
RECORD_TITLE: CYCLODODECENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CYCLODODECENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22
CH$EXACT_MASS: 166.17215
CH$SMILES: C(C1)CCCCC=CCCCC1
CH$IUPAC: InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-
CH$LINK: INCHIKEY
HYPABJGVBDSCIT-UPHRSURJSA-N
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-067m-9100000000-1b5d9c14de3d8c273242
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
15 1.05 11
26 1.39 14
27 24.3 243
28 8.05 81
29 30.41 304
39 34.65 347
40 6.29 63
41 99.99 999
42 16.41 164
43 20.39 204
51 3.2 32
52 2.23 22
53 17.45 175
54 69.53 695
55 92.4 924
56 18.33 183
57 12.04 120
65 5.38 54
66 8.92 89
67 90.63 906
68 46.12 461
69 42.89 429
70 11.7 117
71 2.25 23
77 4.69 47
78 1.77 18
79 10.17 102
80 7.48 75
81 66.58 666
82 86.29 863
83 36.17 362
84 7.34 73
85 1.64 16
91 2.82 28
93 3.36 34
94 4.57 46
95 44.35 444
96 68.28 683
97 19.7 197
98 4.15 42
107 1.44 14
108 1.85 19
109 28.14 281
110 16.48 165
111 4.83 48
112 1.7 17
121 2.1 21
122 1.31 13
123 10.86 109
124 8.98 90
125 1.8 18
137 4.56 46
138 7.61 76
139 1.3 13
140 1.44 14
164 1.18 12
166 35.06 351
167 5.13 51
//