MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007190
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007190
RECORD_TITLE: OCTYL NONANOATE; 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$NAME: OCTYL NONANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H34O2
CH$EXACT_MASS: 270.25588
CH$SMILES: CCCCCCCCC(=O)OCCCCCCCC
CH$IUPAC: InChI=1S/C17H34O2/c1-3-5-7-9-11-13-15-17(18)19-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
CH$LINK: INCHIKEY
XMCQOINBECWLBL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40201074
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$SPLASH: splash10-0a4l-9200000000-373af0a79c07e96a0373
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
14 1.57 16
27 18.24 182
29 35.33 353
30 1.08 11
31 1.26 13
39 8.46 85
41 75.59 756
42 27.49 275
43 99.99 999
44 1.46 15
45 2.17 22
53 3.57 36
54 5.24 52
55 60.03 600
56 47.03 470
57 95.96 960
58 3.45 35
59 1.96 20
60 15.36 154
61 37.37 374
62 1.07 11
67 6.18 62
68 10.94 109
69 41.33 413
70 57.3 573
71 58.55 586
72 3.13 31
73 22.2 222
74 1.92 19
79 1.17 12
81 5.31 53
82 13.16 132
83 45.35 454
84 47.51 475
85 4.23 42
87 5.65 57
89 3.3 33
95 1.51 15
96 2.44 24
97 8.89 89
98 6.39 64
101 3.71 37
103 2.57 26
110 1 10
111 2.42 24
112 73.14 731
113 5.99 60
115 7.24 72
116 2.67 27
123 1.25 13
126 1.1 11
127 1.46 15
129 7.24 72
130 1.09 11
139 1.45 15
141 40.33 403
142 3.71 37
145 1.83 18
157 2.63 26
158 8.86 89
159 96.58 966
160 8.13 81
173 2.37 24
185 1.33 13
270 1.44 14
//