MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002895
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002895
RECORD_TITLE: DIETHYL 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$NAME: DIETHYL SUCCINATE
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fb9-6900000000-7c630102d002ffd92fa9
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
27 13.62 136
28 12.9 129
29 39.85 399
30 2.12 21
31 2.06 21
43 3.74 37
45 8.97 90
55 14.71 147
56 9.04 90
57 3.92 39
73 15.57 156
74 9.01 90
100 4.64 46
101 99.99 999
102 12.73 127
128 13.88 139
129 59.94 599
130 4.54 45
//
system version 2.2.6-SNAPSHOT