MassBank Record: PR010130



 Sinapic acid; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
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ACCESSION: PR010130
RECORD_TITLE: Sinapic acid; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 3,5-Dimethoxy-4-hydroxycinnamic acid CH$NAME: Sinapate CH$NAME: Sinapic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C11H12O5 CH$EXACT_MASS: 224.06847 CH$SMILES: COc(c1)c(O)c(OC)cc(C=CC(O)=O)1 CH$IUPAC: InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+ CH$LINK: CAS 530-59-6 CH$LINK: CHEBI 15714 CH$LINK: KEGG C00482 CH$LINK: NIKKAJI J11.713G CH$LINK: PUBCHEM 3765
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_INDEX 2239.2 AC$CHROMATOGRAPHY: RETENTION_TIME 521.172 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C17H28O5Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 368.14753 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9636000000-15691f6a00fd74dadf7a PK$NUM_PEAK: 299 PK$PEAK: m/z int. rel.int. 60 18 18 61 40 40 62 12 12 63 30 30 64 14 14 65 16 16 66 9 9 67 9 9 68 1 1 69 7 7 70 9 9 71 9 9 72 28 28 73 999 999 74 101 101 75 289 289 76 58 58 77 81 81 78 15 15 79 30 30 80 4 4 81 8 8 82 4 4 83 22 22 84 6 6 85 10 10 86 3 3 87 7 7 88 13 13 89 108 108 90 17 17 91 52 52 92 24 24 93 14 14 94 3 3 95 10 10 96 9 9 97 5 5 98 3 3 99 16 16 100 3 3 101 9 9 102 17 17 103 40 40 104 22 22 105 26 26 106 6 6 107 12 12 108 3 3 109 8 8 110 3 3 111 6 6 112 2 2 113 3 3 114 2 2 115 34 34 116 17 17 117 55 55 118 16 16 119 52 52 120 26 26 121 14 14 122 5 5 123 4 4 124 2 2 125 4 4 126 3 3 127 4 4 128 7 7 129 20 20 130 18 18 131 26 26 132 36 36 133 44 44 134 12 12 135 43 43 136 8 8 137 9 9 138 2 2 139 3 3 140 8 8 141 3 3 142 4 4 143 8 8 144 5 5 145 22 22 146 9 9 147 65 65 148 17 17 149 22 22 150 10 10 151 9 9 152 3 3 153 3 3 154 19 19 155 4 4 156 1 1 157 2 2 158 4 4 159 10 10 160 19 19 161 36 36 162 39 39 163 25 25 164 6 6 165 7 7 166 5 5 167 4 4 168 2 2 169 39 39 170 5 5 171 3 3 172 2 2 173 11 11 174 9 9 175 54 54 176 26 26 177 74 74 178 23 23 179 15 15 180 4 4 181 3 3 182 1 1 183 1 1 184 1 1 185 2 2 186 2 2 187 5 5 188 8 8 189 16 16 190 28 28 191 35 35 192 15 15 193 14 14 194 5 5 195 4 4 196 5 5 197 2 2 198 1 1 199 1 1 200 1 1 201 4 4 202 3 3 203 22 22 204 17 17 205 49 49 206 37 37 207 13 13 208 4 4 209 39 39 210 8 8 211 3 3 212 1 1 213 1 1 214 1 1 215 1 1 216 2 2 217 6 6 218 49 49 219 45 45 220 45 45 221 27 27 222 27 27 223 8 8 224 3 3 225 1 1 226 1 1 227 1 1 229 1 1 230 1 1 231 4 4 232 6 6 233 21 21 234 22 22 235 13 13 236 6 6 237 6 6 238 2 2 239 7 7 240 2 2 241 1 1 242 1 1 243 1 1 245 1 1 246 1 1 247 12 12 248 23 23 249 89 89 250 22 22 251 12 12 252 5 5 253 1 1 254 1 1 259 1 1 260 1 1 261 3 3 262 2 2 263 15 15 264 12 12 265 7 7 266 5 5 267 1 1 268 1 1 272 1 1 273 1 1 274 1 1 275 1 1 276 1 1 277 4 4 278 5 5 279 90 90 280 31 31 281 12 12 282 2 2 283 1 1 289 1 1 290 1 1 291 1 1 292 2 2 293 10 10 294 7 7 295 10 10 296 4 4 297 2 2 298 1 1 299 1 1 302 1 1 303 1 1 304 1 1 305 1 1 306 1 1 307 4 4 308 4 4 309 17 17 310 8 8 311 4 4 312 2 2 313 1 1 321 1 1 322 5 5 323 115 115 324 56 56 325 21 21 326 5 5 327 2 2 328 2 2 329 2 2 330 3 3 331 3 3 332 3 3 333 3 3 334 3 3 335 2 2 336 3 3 337 16 16 338 321 321 339 130 130 340 49 49 341 15 15 342 3 3 343 1 1 344 1 1 345 2 2 346 2 2 347 2 2 348 2 2 349 2 2 350 2 2 351 1 1 352 9 9 353 160 160 354 61 61 355 23 23 356 5 5 357 2 2 358 1 1 359 1 1 360 2 2 361 2 2 362 2 2 363 2 2 364 2 2 365 2 2 366 2 2 367 16 16 368 240 240 369 76 76 370 31 31 371 6 6 372 1 1 393 1 1 435 1 1 474 1 1 508 1 1 525 1 1 644 1 1 663 1 1 692 1 1 767 1 1 //