MassBank Record: KZ000133



 Ferulic acid; GC-EI-TOF; MS; 2 TMS; BP:249 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000133
RECORD_TITLE: Ferulic acid; GC-EI-TOF; MS; 2 TMS; BP:249
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_01413_P000041

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 2287.1 AC$CHROMATOGRAPHY: RETENTION_TIME 996.528 sec
MS$FOCUSED_ION: BASE_PEAK 249 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00kv-2964000000-3d20d62c97c33247cfcf PK$NUM_PEAK: 256 PK$PEAK: m/z int. rel.int. 82 16 16 83 90 90 84 28 28 85 42 42 86 17 17 87 46 46 88 223 223 89 794 794 90 114 114 91 186 186 92 45 45 93 38 38 94 13 13 95 35 35 96 9 9 97 11 11 98 11 11 99 33 33 100 14 14 101 66 66 102 235 235 103 166 166 104 65 65 105 122 122 106 22 22 107 51 51 108 11 11 109 49 49 110 19 19 111 18 18 112 3 3 113 14 14 114 16 16 115 312 312 116 126 126 117 423 423 118 148 148 119 136 136 120 31 31 121 42 42 122 16 16 123 12 12 124 14 14 125 37 37 126 8 8 127 22 22 128 41 41 129 64 64 130 54 54 131 117 117 132 40 40 133 162 162 134 33 33 135 178 178 136 34 34 137 76 76 138 12 12 139 206 206 140 24 24 141 10 10 142 28 28 143 53 53 144 24 24 145 346 346 146 132 132 147 372 372 148 117 117 149 99 99 150 34 34 151 30 30 152 8 8 153 6 6 154 148 148 155 20 20 156 3 3 157 11 11 158 17 17 159 60 60 160 283 283 161 205 205 162 50 50 163 115 115 164 31 31 165 35 35 166 34 34 167 9 9 168 4 4 169 3 3 170 2 2 171 13 13 172 10 10 173 66 66 174 38 38 175 399 399 176 87 87 177 69 69 178 32 32 179 319 319 180 58 58 181 25 25 182 5 5 183 3 3 184 3 3 185 14 14 186 9 9 187 31 31 188 45 45 189 108 108 190 260 260 191 384 384 192 197 197 193 63 63 194 17 17 195 10 10 196 4 4 197 3 3 198 2 2 199 4 4 200 3 3 201 16 16 202 12 12 203 260 260 204 123 123 205 132 132 206 45 45 207 49 49 208 14 14 209 127 127 210 25 25 211 9 9 212 3 3 213 5 5 214 3 3 215 4 4 216 10 10 217 43 43 218 257 257 219 512 512 220 129 129 221 104 104 222 49 49 223 33 33 224 11 11 225 4 4 226 1 1 229 2 2 230 2 2 231 15 15 232 31 31 233 109 109 234 37 37 235 30 30 236 23 23 237 10 10 238 4 4 239 4 4 240 2 2 241 2 2 242 1 1 243 2 2 244 2 2 245 3 3 246 3 3 247 26 26 248 27 27 249 999 999 250 271 271 251 94 94 252 19 19 253 17 17 254 8 8 255 3 3 256 2 2 257 1 1 258 1 1 259 2 2 260 2 2 261 4 4 262 3 3 263 43 43 264 57 57 265 55 55 266 23 23 267 9 9 268 4 4 269 3 3 270 3 3 271 3 3 272 3 3 273 4 4 274 4 4 275 5 5 276 4 4 277 8 8 278 10 10 279 205 205 280 84 84 281 33 33 282 10 10 283 3 3 284 1 1 289 1 1 290 1 1 291 3 3 292 24 24 293 652 652 294 255 255 295 92 92 296 22 22 297 7 7 298 5 5 299 7 7 300 8 8 301 10 10 302 9 9 303 10 10 304 9 9 305 6 6 306 6 6 307 55 55 308 763 763 309 275 275 310 102 102 311 24 24 312 6 6 313 3 3 314 4 4 315 5 5 316 5 5 317 6 6 318 5 5 319 5 5 320 3 3 321 4 4 322 33 33 323 736 736 324 240 240 325 93 93 326 20 20 327 5 5 328 3 3 329 6 6 330 7 7 331 7 7 332 8 8 333 7 7 334 6 6 335 3 3 336 3 3 337 59 59 338 922 922 339 261 261 340 103 103 341 21 21 342 4 4 343 1 1 //

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