MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002940
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002940
RECORD_TITLE: ETHYLENE BRASYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: ETHYLENE BRASYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H26O4
CH$EXACT_MASS: 270.18311
CH$SMILES: O=C(C1)OCCOC(=O)CCCCCCCCCC1
CH$IUPAC: InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
CH$LINK: INCHIKEY
XRHCAGNSDHCHFJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1044774
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-053e-9200000000-1efb500eb93f7a32c43d
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
15 3.11 31
27 16.76 168
28 10.92 109
29 28.78 288
31 2.51 25
39 11.86 119
40 3.77 38
41 66.35 664
42 30.33 303
43 38.63 386
44 5.5 55
45 10.57 106
53 5.11 51
54 8.94 89
55 99.99 999
56 17.42 174
57 12.5 125
58 8.39 84
59 3.72 37
60 3.2 32
61 4.27 43
67 18.87 189
68 11.06 111
69 32.78 328
70 11.06 111
71 8.25 83
73 4.36 44
79 5.33 53
80 5.22 52
81 17.47 175
82 9.91 99
83 31.16 312
84 44.25 443
85 8.05 81
86 67.2 672
87 24.16 242
93 4.77 48
94 4.75 48
95 10.46 105
96 8.51 85
97 19.55 196
98 79.83 798
99 47.03 470
100 5.03 50
101 2.96 30
104 4.17 42
105 2.44 24
107 5.73 57
108 2.91 29
109 5.24 52
110 3.86 39
111 11.36 114
112 28.08 281
113 6.82 68
117 2.52 25
121 3.35 34
122 2.29 23
123 4.84 48
124 4.88 49
125 17.87 179
126 4.87 49
127 2.56 26
137 3.32 33
138 2.48 25
139 3.83 38
141 3.9 39
149 7.41 74
152 3.04 30
155 9.21 92
159 3.52 35
163 3.34 33
166 3.19 32
167 2.55 26
173 6.56 66
180 5.44 54
181 3.45 35
182 2.43 24
187 22.03 220
188 2.65 27
208 6.16 62
209 2.5 25
211 17.05 171
212 2.79 28
227 41.29 413
228 6.41 64
270 5.33 53
//