MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008536
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008536
RECORD_TITLE: TRANS-2-DODECENYL ACETATE; 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$NAME: TRANS-2-DODECENYL ACETATE
CH$NAME: ACETIC ACID TRANS-2-DODECENYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H26O2
CH$EXACT_MASS: 226.19328
CH$SMILES: CCCCCCCCCC=CCOC(C)=O
CH$IUPAC: InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h11-12H,3-10,13H2,1-2H3/b12-11+
CH$LINK: INCHIKEY
AMIUTTABDVIFDZ-VAWYXSNFSA-N
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$SPLASH: splash10-0006-9100000000-7cff861bfa886e930e3c
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
15 1.59 16
27 6.87 69
29 13.05 131
39 7.35 74
41 24.21 242
42 5.49 55
43 99.99 999
44 2.3 23
53 4.78 48
54 24.75 248
55 21.46 215
56 5.29 53
57 12.94 129
58 2.22 22
61 1.38 14
66 1.97 20
67 16.36 164
68 14.23 142
69 12.14 121
70 4.81 48
71 7.08 71
72 2.56 26
73 1.17 12
79 1.83 18
80 1.39 14
81 16.32 163
82 20.45 205
83 8.33 83
84 2.09 21
85 1.93 19
86 1.45 15
95 10.92 109
96 16.71 167
97 4.88 49
99 2.29 23
100 3.89 39
109 5.93 59
110 4.95 50
111 1.39 14
113 2.22 22
114 4.16 42
115 1.69 17
123 1.85 19
124 3.12 31
137 1.22 12
138 7.84 78
155 1.67 17
166 3.21 32
183 1.13 11
184 4.28 43
//