MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005366
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005366
RECORD_TITLE: (E,E)-8,10-DODECADIEN-1-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: (E,E)-8,10-DODECADIEN-1-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O
CH$EXACT_MASS: 182.16707
CH$SMILES: OCCCCCCCC([H])=C([H])C([H])=C([H])C
CH$IUPAC: InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+
CH$LINK: INCHIKEY
CSWBSLXBXRFNST-MQQKCMAXSA-N
CH$LINK: COMPTOX
DTXSID1035288
AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0002-9100000000-8c375351e5cf881ff389
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
41 14.8 148
42 3.6 36
43 42.1 421
44 2.34 23
45 16 160
46 99.99 999
47 2.6 26
52 0.23 2
53 1.6 16
54 15.7 157
55 23.7 237
56 0.25 3
57 5.9 59
58 8.2 82
59 12.9 129
60 0.13 1
65 4 40
66 4.6 46
67 36.1 361
68 5.86 59
69 7.8 78
70 3.5 35
71 3.5 35
72 0.39 4
73 28.1 281
74 1.3 13
75 2.1 21
77 0.63 6
78 1.8 18
79 31.6 316
80 8.5 85
81 4.58 46
82 14 140
83 3 30
84 1.3 13
86 0.19 2
87 8.8 88
88 3.5 35
89 15.8 158
91 0.29 3
92 1.6 16
93 8.8 88
94 6.7 67
95 0.87 9
96 7 70
97 2.5 25
98 2.8 28
101 0.28 3
102 2.1 21
103 6.1 61
105 1.1 11
107 0.51 5
108 2.7 27
109 3.4 34
110 1.3 13
111 0.16 2
117 2.4 24
119 1.3 13
121 5.8 58
122 0.2 2
123 1.1 11
131 2.3 23
133 5.9 59
135 0.37 4
136 1 10
147 1.3 13
149 1.2 12
164 0.36 4
177 1 10
181 1.3 13
182 10.5 105
183 1.4 14
//