MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010882
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010882
RECORD_TITLE: METHYL 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$NAME: METHYL RICINOLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H36O3
CH$EXACT_MASS: 312.26645
CH$SMILES: CCCCCCC(O)CC=CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h10,13,18,20H,3-9,11-12,14-17H2,1-2H3/b13-10-/t18-/m1/s1
CH$LINK: INCHIKEY
XKGDWZQXVZSXAO-ADYSOMBNSA-N
CH$LINK: COMPTOX
DTXSID2029169
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$SPLASH: splash10-0aov-9200000000-8e63ce35708c1571309d
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
15 3.1 31
27 8.1 81
29 15.4 154
31 3.2 32
39 7.4 74
41 41.1 411
42 6.7 67
43 36.2 362
44 4 40
45 2.8 28
53 4.1 41
54 15.3 153
55 99.99 999
56 8.5 85
57 11.4 114
59 12.2 122
65 1.1 11
66 1.1 11
67 20.8 208
68 14.5 145
69 32.5 325
70 4.1 41
71 5.2 52
73 2.4 24
74 40.6 406
75 3 30
77 1.4 14
79 4.7 47
80 2.7 27
81 17.4 174
82 20.6 206
83 20.2 202
84 34.6 346
85 5.2 52
87 23.7 237
88 2.1 21
91 1.4 14
93 2.7 27
94 3.3 33
95 10.2 102
96 30.9 309
97 30.9 309
98 29.3 293
99 2.5 25
101 3.7 37
107 1.6 16
108 1.8 18
109 4.5 45
110 9.3 93
111 6.3 63
112 1.6 16
113 2.9 29
114 2.9 29
115 7.6 76
116 1.3 13
119 2.3 23
121 1.1 11
122 6.8 68
123 11.5 115
124 28.3 283
125 7.5 75
127 1.3 13
128 2.9 29
129 1.3 13
137 7.7 77
138 3.4 34
141 2.2 22
148 4.1 41
149 1.3 13
151 1 10
155 1.5 15
166 33.3 333
167 3.8 38
195 2.2 22
198 8.1 81
199 1.2 12
//