MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010883
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010883
RECORD_TITLE: ETHYL RICINOLEATE; 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$NAME: ETHYL RICINOLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H38O3
CH$EXACT_MASS: 326.28210
CH$SMILES: CCCCCCC(O)CC=CCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C20H38O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h11,14,19,21H,3-10,12-13,15-18H2,1-2H3/b14-11-/t19-/m1/s1
CH$LINK: INCHIKEY
AZXVZUBIFYQWJK-KWRJMZDGSA-N
CH$LINK: COMPTOX
DTXSID80886127
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$SPLASH: splash10-0aov-9200000000-7ce562b708e994be2a83
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
27 9.7 97
29 29.1 291
31 3.1 31
39 5.4 54
41 38.4 384
42 5.4 54
43 35.6 356
44 3 30
45 5.3 53
53 4.1 41
54 17.3 173
55 99.99 999
56 7.6 76
57 12 120
58 1.1 11
59 1.6 16
60 5.3 53
61 4.1 41
65 1.2 12
66 1.2 12
67 21.7 217
68 13.7 137
69 34.9 349
70 7.8 78
71 5.2 52
73 6.8 68
77 1.3 13
79 4.9 49
80 3 30
81 19.9 199
82 19.3 193
83 21.4 214
84 32.4 324
85 4.6 46
87 2 20
88 35 350
89 2.9 29
91 1.4 14
93 3 30
94 3.7 37
95 11.7 117
96 29.5 295
97 31.9 319
98 24.6 246
99 2.3 23
101 20.5 205
102 1.9 19
107 1.6 16
108 1.7 17
109 5.1 51
110 6.5 65
111 5.7 57
112 1.6 16
113 2.3 23
114 1 10
115 5.9 59
116 1.1 11
119 2.4 24
121 1.9 19
122 4.9 49
123 11.7 117
124 27.8 278
125 6 60
127 1.5 15
128 2.1 21
129 2.5 25
130 1 10
133 1.2 12
139 1 10
141 1.5 15
142 2 20
143 1.4 14
147 1.5 15
148 3.8 38
149 1.3 13
150 1.1 11
151 1.7 17
155 2.8 28
157 1.1 11
165 1.5 15
166 30.2 302
167 3.7 37
169 1.5 15
183 1.1 11
195 2.2 22
212 6.9 69
213 1.3 13
263 1.1 11
//