ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002725
RECORD_TITLE: 4-HYDROXY-3-METHOXYMANDELIC ACID-TRI-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$NAME: 4-HYDROXY-3-METHOXYMANDELIC ACID-TRI-TMS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H34O5Si3
CH$EXACT_MASS: 414.17140
CH$SMILES: COc(c1)c(ccc1C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C
CH$IUPAC: InChI=1S/C18H34O5Si3/c1-20-16-13-14(11-12-15(16)21-24(2,3)4)17(22-25(5,6)7)18(19)23-26(8,9)10/h11-13,17H,1-10H3
CH$LINK: INCHIKEY QGOJNGYLGCWPKN-UHFFFAOYSA-N
AC$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: splash10-0002-6190000000-0a3a3f98798a1271d46a
PK$NUM_PEAK: 175
PK$PEAK: m/z int. rel.int.
  41 1.6 16
  42 1.2 12
  43 3.1 31
  44 0.3 3
  45 7.5 75
  46 0.5 5
  47 0.9 9
  50 0.01 0
  51 0.1 1
  53 0.1 1
  55 1.1 11
  56 0.03 0
  57 2.2 22
  58 0.4 4
  59 4.6 46
  60 0.02 0
  61 0.3 3
  62 0.1 1
  64 0.1 1
  67 0.02 0
  68 0.2 2
  69 1.1 11
  70 0.2 2
  71 0.09 1
  72 0.7 7
  73 66.8 668
  74 7.8 78
  75 0.94 9
  76 0.5 5
  77 0.1 1
  79 0.2 2
  81 0.06 1
  83 0.5 5
  84 0.2 2
  85 0.4 4
  87 0.12 1
  88 0.1 1
  89 0.9 9
  90 0.2 2
  91 0.03 0
  92 0.4 4
  93 0.5 5
  94 0.1 1
  97 0.04 0
  98 0.1 1
  103 0.2 2
  104 0.1 1
  108 0.04 0
  111 0.1 1
  113 0.4 4
  116 0.1 1
  117 0.14 1
  124 0.2 2
  125 0.3 3
  129 0.7 7
  130 0.01 0
  131 0.6 6
  132 0.6 6
  133 1.5 15
  135 0.08 1
  137 0.6 6
  138 0.1 1
  139 0.2 2
  141 0.01 0
  142 0.1 1
  143 0.2 2
  145 0.3 3
  147 0.75 8
  148 1.4 14
  149 1.1 11
  150 0.2 2
  153 0.01 0
  159 0.1 1
  161 0.2 2
  162 0.2 2
  163 0.08 1
  164 0.2 2
  165 0.3 3
  166 0.1 1
  167 0.02 0
  175 0.6 6
  176 0.1 1
  177 0.4 4
  179 0.08 1
  180 0.1 1
  181 0.3 3
  185 0.1 1
  192 0.07 1
  193 2.2 22
  194 2.6 26
  195 0.6 6
  196 0.01 0
  198 0.1 1
  200 0.1 1
  203 0.1 1
  206 0.06 1
  207 0.5 5
  208 0.2 2
  209 1.1 11
  210 0.03 0
  217 0.1 1
  221 0.4 4
  222 0.2 2
  223 0.31 3
  225 0.4 4
  227 0.2 2
  228 0.2 2
  235 0.01 0
  236 0.5 5
  237 0.8 8
  238 0.1 1
  239 0.02 0
  240 0.1 1
  242 0.1 1
  244 0.1 1
  246 0.01 0
  249 0.2 2
  250 0.2 2
  251 0.7 7
  252 0.02 0
  253 0.4 4
  254 0.2 2
  262 0.1 1
  263 0.01 0
  264 0.2 2
  265 1 10
  266 0.4 4
  267 0.46 5
  268 1 10
  269 0.4 4
  270 0.2 2
  271 0.01 0
  273 0.1 1
  275 0.1 1
  278 0.1 1
  279 0.01 0
  281 0.5 5
  282 0.4 4
  283 0.3 3
  289 0.02 0
  292 0.1 1
  294 0.2 2
  295 0.7 7
  296 0.23 2
  297 99.99 999
  298 24.9 249
  299 10.8 108
  300 0.17 2
  301 0.2 2
  307 0.2 2
  308 0.2 2
  309 0.04 0
  311 0.6 6
  312 0.3 3
  313 0.2 2
  323 0.01 0
  325 0.4 4
  326 1.2 12
  328 0.2 2
  341 0.04 0
  342 0.1 1
  343 0.2 2
  355 0.1 1
  356 0.02 0
  370 0.2 2
  371 4.4 44
  372 1.5 15
  373 0.07 1
  399 4.1 41
  400 1.4 14
  401 0.6 6
  402 0.01 0
  413 0.5 5
  414 0.1 1
  415 0.3 3
//
