MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007004
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007004
RECORD_TITLE: DECYL OCTANOATE; 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$NAME: DECYL OCTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O2
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCOC(=O)CCCCCCC
CH$IUPAC: InChI=1S/C18H36O2/c1-3-5-7-9-10-11-13-15-17-20-18(19)16-14-12-8-6-4-2/h3-17H2,1-2H3
CH$LINK: INCHIKEY
WVWRBUIUZMBLNI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8062319
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$SPLASH: splash10-052f-9200000000-1d3b38f495f09ffc8f6a
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
26 1.15 12
27 15.64 156
29 30.04 300
31 1.05 11
39 7.65 77
41 73.25 733
42 23.57 236
43 98.06 981
44 2.05 21
45 1.69 17
53 2.91 29
54 5.68 57
55 64.32 643
56 41.39 414
57 99.99 999
58 4.25 43
59 1.67 17
60 8.65 87
61 20.35 204
67 6.99 70
68 11.89 119
69 34.96 350
70 40.99 410
71 21.27 213
72 1.11 11
73 10.94 109
74 1.06 11
81 2.95 30
82 16.74 167
83 37.06 371
84 29.66 297
85 18.36 184
86 1.22 12
87 4.91 49
89 3.35 34
96 5.82 58
97 29.75 298
98 19.62 196
99 2.29 23
101 6.57 66
103 1.64 16
109 1.95 20
110 2.06 21
111 18.68 187
112 20.69 207
113 1.96 20
115 3.1 31
116 2.75 28
125 1.97 20
127 37.37 374
128 3.05 31
129 1.27 13
140 37.59 376
141 3.75 38
144 7.98 80
145 91.27 913
146 6.31 63
185 2.36 24
//