MassBank Record: JP002723



 3-METHYLADIPIC ACID DI-TMS; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002723
RECORD_TITLE: 3-METHYLADIPIC ACID DI-TMS; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-METHYLADIPIC ACID DI-TMS CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H28O4Si2 CH$EXACT_MASS: 304.15261 CH$SMILES: CC(CCC(=O)O[Si](C)(C)C)CC(=O)O[Si](C)(C)C CH$IUPAC: InChI=1S/C13H28O4Si2/c1-11(10-13(15)17-19(5,6)7)8-9-12(14)16-18(2,3)4/h11H,8-10H2,1-7H3
AC$INSTRUMENT: SHIMADZU LKB-9000B AC$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$SPLASH: splash10-0006-9200000000-1c89305b9a5bc0da7e16 PK$NUM_PEAK: 99 PK$PEAK: m/z int. rel.int. 40 99.99 999 41 7.9 79 42 14.6 146 43 27.1 271 44 25.7 257 45 7.3 73 46 1.2 12 47 0.67 7 50 0.8 8 51 0.8 8 52 1.3 13 54 0.11 1 55 3.1 31 56 1.2 12 57 2.3 23 58 0.06 1 59 24.4 244 60 0.9 9 61 2.1 21 63 0.08 1 68 1.3 13 69 6.5 65 72 0.6 6 73 3.4 34 74 5.2 52 75 37.6 376 76 1.5 15 77 0.21 2 80 0.4 4 81 0.2 2 83 0.8 8 86 0.05 1 87 2.4 24 88 2.1 21 89 0.8 8 93 0.04 0 94 0.1 1 95 4 40 97 0.4 4 98 0.22 2 100 2.1 21 103 1.2 12 106 0.1 1 110 0.03 0 112 1.1 11 115 1.6 16 117 7.8 78 118 0.09 1 122 0.1 1 123 0.5 5 124 0.3 3 125 0.95 10 126 0.3 3 129 3.3 33 131 5.1 51 132 0.18 2 133 1 10 136 0.4 4 137 0.4 4 139 0.02 0 141 1.3 13 142 1.2 12 143 1.2 12 144 0.04 0 145 0.4 4 147 9.5 95 148 1.9 19 149 0.15 2 151 0.2 2 152 0.3 3 154 1.3 13 155 0.02 0 156 2.2 22 157 0.5 5 159 0.5 5 160 0.16 2 171 2.7 27 172 0.6 6 173 6.7 67 174 0.18 2 175 1.4 14 179 0.9 9 180 1.6 16 181 0.12 1 186 2.3 23 187 0.3 3 189 1.8 18 199 0.15 2 201 1.3 13 204 1.1 11 217 0.3 3 218 0.02 0 219 0.2 2 221 1.7 17 231 1.3 13 275 0.02 0 289 3 30 290 2.3 23 291 1.5 15 //