MassBank Record: PR010129



 Sinapic acid; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
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ACCESSION: PR010129
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 2051 AC$CHROMATOGRAPHY: RETENTION_TIME 486.654 sec
MS$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$SPLASH: splash10-00di-9535000000-dc1aa60962d61ce2d9bb PK$NUM_PEAK: 263 PK$PEAK: m/z int. rel.int. 60 19 19 61 42 42 62 11 11 63 31 31 64 15 15 65 16 16 66 9 9 67 7 7 69 6 6 70 8 8 71 8 8 72 24 24 73 999 999 74 100 100 75 281 281 76 54 54 77 88 88 78 15 15 79 27 27 80 4 4 81 7 7 82 2 2 83 22 22 84 5 5 85 9 9 86 2 2 87 6 6 88 11 11 89 104 104 90 16 16 91 49 49 92 24 24 93 13 13 94 2 2 95 9 9 96 9 9 97 3 3 98 2 2 99 15 15 100 2 2 101 8 8 102 16 16 103 36 36 104 18 18 105 26 26 106 6 6 107 11 11 108 3 3 109 7 7 110 3 3 111 5 5 112 1 1 113 2 2 114 1 1 115 31 31 116 13 13 117 33 33 118 12 12 119 46 46 120 23 23 121 14 14 122 4 4 123 3 3 124 2 2 125 2 2 126 2 2 127 3 3 128 7 7 129 13 13 130 14 14 131 21 21 132 25 25 133 38 38 134 9 9 135 42 42 136 8 8 137 10 10 138 1 1 139 2 2 140 6 6 141 2 2 142 3 3 143 7 7 144 4 4 145 18 18 146 7 7 147 60 60 148 16 16 149 19 19 150 9 9 151 8 8 152 2 2 153 3 3 154 12 12 155 2 2 156 1 1 157 2 2 158 3 3 159 9 9 160 17 17 161 31 31 162 27 27 163 27 27 164 5 5 165 7 7 166 5 5 167 3 3 168 1 1 169 32 32 170 4 4 171 2 2 172 1 1 173 11 11 174 8 8 175 47 47 176 22 22 177 63 63 178 21 21 179 14 14 180 4 4 181 3 3 182 1 1 185 2 2 186 1 1 187 6 6 188 6 6 189 14 14 190 25 25 191 34 34 192 14 14 193 14 14 194 5 5 195 4 4 196 4 4 197 2 2 199 1 1 201 2 2 202 2 2 203 20 20 204 17 17 205 43 43 206 35 35 207 12 12 208 3 3 209 39 39 210 8 8 211 3 3 212 1 1 213 1 1 215 1 1 216 2 2 217 6 6 218 46 46 219 43 43 220 44 44 221 27 27 222 25 25 223 7 7 224 2 2 225 1 1 227 1 1 230 1 1 231 3 3 232 5 5 233 17 17 234 21 21 235 12 12 236 6 6 237 5 5 238 2 2 239 7 7 240 1 1 245 1 1 246 1 1 247 11 11 248 26 26 249 81 81 250 20 20 251 11 11 252 3 3 253 1 1 254 1 1 259 1 1 261 2 2 262 3 3 263 16 16 264 12 12 265 7 7 266 3 3 267 2 2 268 1 1 277 5 5 278 4 4 279 79 79 280 29 29 281 11 11 282 2 2 283 1 1 287 1 1 292 2 2 293 8 8 294 6 6 295 9 9 296 3 3 297 1 1 303 1 1 304 1 1 305 1 1 306 1 1 307 3 3 308 4 4 309 16 16 310 7 7 311 4 4 312 1 1 321 1 1 322 6 6 323 117 117 324 53 53 325 19 19 326 4 4 327 1 1 328 1 1 329 2 2 330 3 3 331 2 2 332 2 2 333 3 3 334 2 2 335 2 2 336 1 1 337 17 17 338 298 298 339 119 119 340 45 45 341 12 12 342 2 2 343 1 1 344 1 1 345 2 2 346 2 2 347 2 2 348 2 2 349 1 1 350 1 1 352 8 8 353 139 139 354 52 52 355 20 20 356 5 5 357 1 1 359 1 1 360 1 1 361 2 2 362 1 1 363 2 2 364 2 2 365 1 1 367 15 15 368 207 207 369 65 65 370 25 25 371 6 6 //