MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002894
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002894
RECORD_TITLE: DIMETHYL 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$NAME: DIMETHYL SUCCINATE
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-066r-9500000000-c195fe7b6f9368cc8661
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
15 43.36 434
26 2.93 29
27 12.05 121
28 11.76 118
29 6.75 68
31 2.2 22
41 3.82 38
42 3.87 39
43 3.46 35
45 7.66 77
55 56.49 565
56 5.65 57
57 5.23 52
59 46.41 464
87 15.84 158
114 28.62 286
115 99.99 999
116 6.57 66
//