MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008327
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008327
RECORD_TITLE: DIETHYL SUCCINATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA
CH$NAME: DIETHYL SUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O4
CH$EXACT_MASS: 174.08921
CH$SMILES: CCOC(=O)CCC(=O)OCC
CH$IUPAC: InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
DKMROQRQHGEIOW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2038732
AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0fb9-6900000000-940ba7631d979c2aaa49
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
15 1.96 20
18 0.28 3
26 1.8 18
27 13.62 136
28 12.9 129
29 39.85 399
30 2.12 21
31 2.06 21
41 0.41 4
42 1.97 20
43 3.74 37
44 0.45 5
45 8.97 90
47 0.28 3
55 14.71 147
56 9.04 90
57 3.92 39
58 0.14 1
59 0.48 5
60 0.59 6
72 0.6 6
73 15.57 156
74 9.01 90
75 1.69 17
79 0.86 9
83 0.77 8
84 0.58 6
85 0.16 2
99 0.66 7
100 4.64 46
101 99.99 999
102 12.73 127
103 1.15 12
115 0.21 2
128 13.88 139
129 59.94 599
130 4.54 45
131 0.5 5
146 0.1 1
147 1.83 18
174 0.69 7
//
system version 2.2.6-SNAPSHOT