MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001042
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001042
RECORD_TITLE: BENZYLMALONIC 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$NAME: BENZYLMALONIC ACID BIS(TRIMETHYLSILYL) ESTER
CH$NAME: DI(TRIMETHYLSILYL) BENZYLMALONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H26O4Si2
CH$EXACT_MASS: 338.13696
CH$SMILES: c(c1)ccc(c1)CC(C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C16H26O4Si2/c1-21(2,3)19-15(17)14(16(18)20-22(4,5)6)12-13-10-8-7-9-11-13/h7-11,14H,12H2,1-6H3
CH$LINK: INCHIKEY
AKZYXWZPWVNMMW-UHFFFAOYSA-N
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$SPLASH: splash10-004i-9200000000-4bfc829390bd732a19ac
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
43 12.9 129
44 25.5 255
45 30.1 301
47 2.23 22
49 11.4 114
51 12.4 124
73 33.3 333
75 99.99 999
76 10.4 104
77 67.5 675
78 11.6 116
91 1.19 12
93 12.4 124
103 14.8 148
104 24.4 244
131 2.02 20
132 13.6 136
147 17.5 175
161 5.3 53
205 0.77 8
207 3.8 38
//
system version 2.2.8-SNAPSHOT