MassBank Record: KZ000089



 Ferulic acid; GC-EI-TOF; MS; 2 TMS; BP:323 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000089
RECORD_TITLE: Ferulic acid; GC-EI-TOF; MS; 2 TMS; BP:323
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01729_P000154

CH$NAME: Ferulic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H10O4 CH$EXACT_MASS: 194.05791 CH$SMILES: COc(c1)c(O)ccc(C=CC(O)=O)1 CH$IUPAC: InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ CH$LINK: CAS 1135-24-6 CH$LINK: KEGG C01494 CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N CH$LINK: COMPTOX DTXSID70892035
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 2296.9 AC$CHROMATOGRAPHY: RETENTION_TIME 1035.41 sec
MS$FOCUSED_ION: BASE_PEAK 323 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-05g4-1978000000-1097d5b300514a0489df PK$NUM_PEAK: 256 PK$PEAK: m/z int. rel.int. 82 8 8 83 56 56 84 16 16 85 27 27 86 10 10 87 27 27 88 141 141 89 482 482 90 69 69 91 110 110 92 28 28 93 25 25 94 8 8 95 21 21 96 5 5 97 6 6 98 6 6 99 19 19 100 8 8 101 39 39 102 143 143 103 94 94 104 37 37 105 70 70 106 12 12 107 30 30 108 6 6 109 28 28 110 11 11 111 11 11 112 2 2 113 9 9 114 9 9 115 188 188 116 75 75 117 241 241 118 88 88 119 78 78 120 18 18 121 24 24 122 9 9 123 7 7 124 9 9 125 23 23 126 5 5 127 12 12 128 23 23 129 37 37 130 32 32 131 68 68 132 25 25 133 94 94 134 20 20 135 105 105 136 20 20 137 46 46 138 8 8 139 147 147 140 18 18 141 6 6 142 19 19 143 35 35 144 16 16 145 219 219 146 88 88 147 241 241 148 73 73 149 60 60 150 21 21 151 19 19 152 4 4 153 4 4 154 106 106 155 14 14 156 2 2 157 7 7 158 10 10 159 36 36 160 174 174 161 127 127 162 32 32 163 65 65 164 21 21 165 21 21 166 21 21 167 6 6 168 3 3 169 2 2 170 1 1 171 9 9 172 6 6 173 43 43 174 25 25 175 255 255 176 57 57 177 45 45 178 20 20 179 204 204 180 38 38 181 16 16 182 3 3 183 2 2 184 1 1 185 9 9 186 6 6 187 20 20 188 30 30 189 69 69 190 164 164 191 240 240 192 140 140 193 43 43 194 12 12 195 6 6 196 3 3 197 2 2 198 1 1 199 2 2 200 2 2 201 11 11 202 9 9 203 171 171 204 85 85 205 92 92 206 33 33 207 36 36 208 11 11 209 100 100 210 20 20 211 7 7 212 2 2 213 3 3 214 2 2 215 3 3 216 7 7 217 31 31 218 166 166 219 348 348 220 90 90 221 72 72 222 40 40 223 23 23 224 9 9 225 3 3 226 1 1 229 1 1 230 1 1 231 11 11 232 22 22 233 77 77 234 29 29 235 23 23 236 18 18 237 7 7 238 3 3 239 3 3 240 2 2 241 1 1 242 1 1 243 1 1 244 1 1 245 3 3 246 2 2 247 20 20 248 23 23 249 706 706 250 195 195 251 79 79 252 18 18 253 12 12 254 9 9 255 3 3 256 2 2 257 1 1 258 1 1 259 1 1 260 1 1 261 3 3 262 3 3 263 28 28 264 42 42 265 44 44 266 21 21 267 9 9 268 4 4 269 3 3 270 3 3 271 3 3 272 3 3 273 3 3 274 3 3 275 4 4 276 4 4 277 7 7 278 10 10 279 178 178 280 88 88 281 44 44 282 13 13 283 4 4 284 1 1 289 1 1 290 1 1 291 3 3 292 19 19 293 588 588 294 278 278 295 97 97 296 26 26 297 7 7 298 6 6 299 9 9 300 10 10 301 11 11 302 10 10 303 10 10 304 10 10 305 7 7 306 6 6 307 56 56 308 923 923 309 333 333 310 121 121 311 27 27 312 6 6 313 4 4 314 6 6 315 7 7 316 7 7 317 7 7 318 7 7 319 6 6 320 3 3 321 6 6 322 45 45 323 999 999 324 310 310 325 119 119 326 24 24 327 5 5 328 5 5 329 8 8 330 9 9 331 9 9 332 9 9 333 9 9 334 8 8 335 3 3 336 4 4 337 108 108 338 811 811 339 211 211 340 72 72 341 13 13 342 3 3 343 1 1 //

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