MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010895
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010895
RECORD_TITLE: TRANS-2-HEXENYL DECANOATE; 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$NAME: TRANS-2-HEXENYL DECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H30O2
CH$EXACT_MASS: 254.22458
CH$SMILES: CCCCCCCCCC(=O)OCC=CCCC
CH$IUPAC: InChI=1S/C16H30O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h8,13H,3-7,9-12,14-15H2,1-2H3/b13-8+
CH$LINK: INCHIKEY
IRAVWWBOSKWULT-MDWZMJQESA-N
AC$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: splash10-0a4l-9100000000-5e86fbc682ddd0e1332f
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
15 1.3 13
16 1.2 12
26 1.3 13
27 15.7 157
29 9.3 93
32 3.32 33
38 2.4 24
39 16.9 169
40 3.9 39
41 71.9 719
42 13 130
43 50.6 506
45 1.8 18
50 2.3 23
51 2 20
52 1.5 15
53 8.1 81
54 12.7 127
55 70.6 706
56 10 100
57 47.3 473
58 1.8 18
59 1.2 12
60 3.7 37
65 3.6 36
66 1.9 19
67 58.5 585
68 5.6 56
69 16.6 166
70 4.2 42
71 46.9 469
72 3.2 32
73 4.1 41
77 1.3 13
79 3.4 34
80 1.2 12
81 14.4 144
82 60.5 605
83 32.4 324
84 6.3 63
85 25.3 253
86 2.3 23
87 2.5 25
95 10.2 102
96 2.3 23
97 5 50
98 4 40
99 7.6 76
100 6.6 66
101 1.9 19
109 1.7 17
110 1.8 18
111 4 40
112 1.3 13
114 1.1 11
115 1.7 17
127 1.7 17
129 2.1 21
135 3 30
137 1.8 18
142 1.1 11
153 4.3 43
155 99.99 999
156 10.6 106
171 1.1 11
172 2.8 28
173 1.4 14
211 1.6 16
225 3.5 35
254 4.5 45
//