MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001113
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001113
RECORD_TITLE: HEXANEDIOIC ACID BIS(TRIMETHYLSILYL) ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: HEXANEDIOIC ACID BIS(TRIMETHYLSILYL) ESTER
CH$NAME: DI(TRIMETHYLSILYL) ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26O4Si2
CH$EXACT_MASS: 290.13696
CH$SMILES: O=C(CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C12H26O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-10H2,1-6H3
CH$LINK: INCHIKEY
DVGSOFSBBKDKRU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6066311
AC$INSTRUMENT: JEOL JMS-01-SG
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: splash10-00fr-9410000000-04fa750756439db22706
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
45 9 90
47 12.6 126
55 29.7 297
73 99.99 999
74 10.6 106
75 68.5 685
83 23 230
111 8.93 89
117 15.9 159
129 11.3 113
141 44.3 443
147 5.38 54
149 12.4 124
159 18.1 181
172 20.8 208
185 1.68 17
217 10.4 104
275 33.9 339
276 5.9 59
//