MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008326
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008326
RECORD_TITLE: DIMETHYL 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$NAME: DIMETHYL SUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H10O4
CH$EXACT_MASS: 146.05791
CH$SMILES: COC(=O)CCC(=O)OC
CH$IUPAC: InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY
MUXOBHXGJLMRAB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025152
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$SPLASH: splash10-066r-9400000000-cb3f9b045e51f533a8e0
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
14 0.93 9
15 43.36 434
16 0.39 4
26 2.93 29
27 12.05 121
28 11.76 118
29 6.75 68
30 0.86 9
31 2.2 22
39 0.63 6
41 3.82 38
42 3.87 39
43 3.46 35
44 0.41 4
45 7.66 77
53 0.38 4
54 0.33 3
55 56.49 565
56 5.65 57
57 5.23 52
58 1.26 13
59 46.41 464
60 11.5 115
71 0.15 2
72 0.67 7
74 0.4 4
82 0.16 2
83 1 10
84 0.61 6
85 1.09 11
86 1.64 16
87 15.84 158
88 1.1 11
91 0.12 1
99 0.54 5
101 1.09 11
113 0.2 2
114 28.62 286
115 99.99 999
116 6.57 66
117 0.75 8
//
system version 2.2.6-SNAPSHOT