MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002959
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002959
RECORD_TITLE: BIS(2-METHOXYCARBONYLETHYL) SUCCINATE; 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$NAME: BIS(2-METHOXYCARBONYLETHYL) SUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O8
CH$EXACT_MASS: 290.10017
CH$SMILES: COC(=O)CCOC(=O)CCC(=O)OCCC(=O)OC
CH$IUPAC: InChI=1S/C12H18O8/c1-17-9(13)5-7-19-11(15)3-4-12(16)20-8-6-10(14)18-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY
MFPWNUOPWVCQGS-UHFFFAOYSA-N
AC$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$SPLASH: splash10-004r-6910000000-96f4e01e26366fac69cc
PK$NUM_PEAK: 73
PK$PEAK: m/z int. rel.int.
15 36.09 361
26 2.79 28
27 22.49 225
29 8.87 89
31 10.24 102
39 9.31 93
40 6.67 67
41 12.73 127
42 5.37 54
43 7.45 75
45 6.35 64
51 4.34 43
52 8.64 86
53 23.33 233
54 12.79 128
55 53.51 535
56 3.93 39
57 3.23 32
59 21.96 220
68 9.86 99
69 16.77 168
70 2.17 22
79 3 30
80 7.2 72
81 12.6 126
82 7.92 79
83 9.99 100
85 5.72 57
86 5.16 52
87 20.97 210
96 38.03 380
97 5.17 52
98 4.67 47
99 3.94 39
101 3.15 32
107 4.99 50
108 15.25 153
109 15.61 156
110 7.16 72
112 3.62 36
113 22.6 226
114 5.07 51
115 7.16 72
119 2.2 22
125 3.16 32
128 99.99 999
129 6.56 66
135 6.37 64
136 42.74 427
137 54.97 550
138 4.95 50
140 7.26 73
141 5.59 56
151 2.23 22
163 3.7 37
164 14.61 146
165 25.38 254
166 2.41 24
167 12.4 124
168 14.14 141
169 12.89 129
178 29.15 292
179 4.46 45
181 4.81 48
195 6.2 62
196 56.42 564
197 21.24 212
199 11.25 113
210 10.45 105
213 9 90
227 2.08 21
228 62.99 630
229 6.91 69
//