MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003345
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003345
RECORD_TITLE: ETHYLENEGLYCOL MONOOLEATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: ETHYLENEGLYCOL MONOOLEATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H38O3
CH$EXACT_MASS: 326.28210
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCO
CH$IUPAC: InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10,21H,2-8,11-19H2,1H3/b10-9-
CH$LINK: INCHIKEY
MUHFRORXWCGZGE-KTKRTIGZSA-N
CH$LINK: COMPTOX
DTXSID0063498
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-11pl-9210000000-1aed33bbfdc392a07e20
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
43 57.5 575
44 7.6 76
45 16.4 164
53 8.2 82
54 99.99 999
55 19.6 196
56 30.5 305
58 0.42 4
59 9.7 97
60 6.3 63
61 3.6 36
65 0.27 3
66 2.4 24
67 30.7 307
68 17.1 171
69 4.9 49
70 13.8 138
71 10 100
73 10.6 106
74 1.52 15
75 2.4 24
77 2.5 25
79 8 80
80 0.51 5
81 24.2 242
82 17.3 173
83 31.3 313
84 1.99 20
85 6.6 66
86 3.5 35
87 11.7 117
91 0.27 3
93 4.4 44
95 15 150
96 19.3 193
97 2.11 21
98 28.9 289
99 5.6 56
101 4.5 45
104 0.98 10
107 2.8 28
108 3.5 35
109 8.5 85
110 1.08 11
111 10.8 108
112 9.1 91
113 2.2 22
114 0.27 3
115 3.5 35
117 4.5 45
119 2.1 21
121 0.41 4
123 7.1 71
124 6.2 62
125 6 60
126 0.3 3
127 2.5 25
129 4.2 42
135 3.5 35
137 0.63 6
138 5.1 51
139 3.8 38
141 2.4 24
143 0.28 3
151 5.3 53
152 6 60
153 2.8 28
155 0.22 2
165 3.6 36
166 4.8 48
180 5 50
193 0.21 2
194 2.4 24
208 2.7 27
220 3.3 33
221 0.31 3
222 7.1 71
236 6.5 65
237 2.4 24
256 0.31 3
264 51.2 512
265 20.2 202
266 3.5 35
267 0.35 4
270 2.1 21
282 3.9 39
296 3.6 36
326 0.7 7
327 3.8 38
328 1.6 16
//