MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001561
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001561
RECORD_TITLE: CYCLODODECANE; 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$NAME: CYCLODODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H24
CH$EXACT_MASS: 168.18780
CH$SMILES: C(C1)CCCCCCCCCC1
CH$IUPAC: InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
CH$LINK: INCHIKEY
DDTBPAQBQHZRDW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021552
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$SPLASH: splash10-0a4l-9100000000-7d09a4bed10ece8916a1
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
26 1.17 12
27 22.69 227
28 7.92 79
29 37.23 372
30 1.2 12
39 23.14 231
40 4.48 45
41 90.78 908
42 31.3 313
43 56.45 565
44 2.06 21
51 1.33 13
52 1 10
53 7.98 80
54 12.65 127
55 99.99 999
56 68.23 682
57 44.6 446
58 2.34 23
65 1.34 13
66 1.53 15
67 14.14 141
68 26.68 267
69 77.64 776
70 55.96 560
71 14.58 146
77 1.13 11
79 1.41 14
81 5.82 58
82 32.09 321
83 63.39 634
84 34.96 350
85 8.36 84
95 1.84 18
96 12.9 129
97 44.95 450
98 21.89 219
99 2.87 29
110 5.55 56
111 25.48 255
112 13.08 131
113 1.58 16
124 2.33 23
125 12.3 123
126 6.94 69
139 4.42 44
140 12.23 122
141 1.71 17
168 28.71 287
169 4.5 45
//