MassBank Record: JP002725



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

ACCESSION: 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
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 //