MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009012
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009012
RECORD_TITLE: DIBUTYL SUCCINATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: DIBUTYL SUCCINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H22O4
CH$EXACT_MASS: 230.15181
CH$SMILES: CCCCOC(=O)CCC(=O)OCCCC
CH$IUPAC: InChI=1S/C12H22O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h3-10H2,1-2H3
CH$LINK: CAS
141-03-7
CH$LINK: INCHIKEY
YUXIBTJKHLUKBD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021998
AC$INSTRUMENT: HITACHI M-80B
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: splash10-0udi-3900000000-d36f8861e8991054528c
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
27 2.23 22
29 6.46 65
39 1.37 14
41 9.34 93
43 1.78 18
55 5.12 51
56 11.4 114
57 12.9 129
73 2.57 26
74 2.83 28
100 1.82 18
101 99.99 999
102 4.41 44
119 2.6 26
130 1.39 14
157 17.65 177
158 1.22 12
175 3.33 33
//