MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002528
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002528
RECORD_TITLE: OLEYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: OLEYL ACETATE
CH$NAME: CIS-9-OCTADECENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H38O2
CH$EXACT_MASS: 310.28718
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
CH$LINK: INCHIKEY
LVGKNOAMLMIIKO-QXMHVHEDSA-N
CH$LINK: COMPTOX
DTXSID3047633
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-05o4-9100000000-a451572fc0202f2eb2cd
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
15 3.83 38
27 11.18 112
28 2.78 28
29 29 290
31 1.34 13
39 8.96 90
40 2.19 22
41 74.93 749
42 14.29 143
43 92.8 928
44 2.98 30
53 7.29 73
54 45.15 452
55 99.99 999
56 25.41 254
57 34.69 347
58 1.57 16
61 21.17 212
65 1.67 17
66 6.4 64
67 64.93 649
68 47.22 472
69 62.18 622
70 17.19 172
71 11.62 116
73 2.96 30
77 2.02 20
79 7.23 72
80 7.14 71
81 57.54 575
82 91.28 913
83 50.56 506
84 10.52 105
85 5.54 55
91 1.96 20
93 2.75 28
94 3.64 36
95 47.23 472
96 71.72 717
97 32.48 325
98 6.12 61
99 1.35 14
105 1.07 11
107 1.21 12
108 2 20
109 30.4 304
110 33.04 330
111 13.39 134
112 3.44 34
116 1.02 10
121 1.27 13
122 1.63 16
123 15.29 153
124 20.18 202
125 6.25 63
126 2.42 24
137 9.15 92
138 12.14 121
139 2.87 29
140 1.73 17
151 3.9 39
152 6.5 65
153 1.67 17
154 1.19 12
165 2.25 23
166 4.39 44
167 1.5 15
168 1.52 15
179 1.6 16
180 2.83 28
193 1.59 16
194 3.1 31
196 1.54 15
208 1.86 19
222 5.75 58
223 1.19 12
224 2.21 22
236 1.34 13
250 19.07 191
251 4.02 40
310 0.5 5
//
system version 2.2.6-SNAPSHOT