MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002510
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002510
RECORD_TITLE: DIETHYL 2-(DIETHOXYMETHYL)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$NAME: DIETHYL 2-(DIETHOXYMETHYL)SUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H24O6
CH$EXACT_MASS: 276.15729
CH$SMILES: CCOC(=O)CC(C(=O)OCC)C(OCC)OCC
CH$IUPAC: InChI=1S/C13H24O6/c1-5-16-11(14)9-10(12(15)17-6-2)13(18-7-3)19-8-4/h10,13H,5-9H2,1-4H3
CH$LINK: INCHIKEY
XKFYOTHOBBFZSE-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-3000
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: splash10-055r-2910000000-5ee6bd0168f1a2685771
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
75 60.59 606
76 1.86 19
83 10.68 107
84 1.28 13
85 3.11 31
88 1.49 15
99 1.4 14
100 24.4 244
101 1.31 13
104 12.76 128
105 1.11 11
110 1.72 17
112 1.59 16
113 1.48 15
127 1.88 19
128 4.86 49
129 34.01 340
130 2.41 24
141 1.77 18
145 5.26 53
155 1.45 15
156 4.53 45
157 57.9 579
158 7.15 72
173 5.41 54
184 10.43 104
185 99.99 999
186 9.88 99
187 1.58 16
189 4.07 41
201 5.49 55
202 1.2 12
230 17.81 178
231 16.14 161
232 2.14 21
247 1.77 18
276 2.31 23
//
system version 2.2.6-SNAPSHOT