MassBank Record: PR010004



 trans-4-Hydroxy-3-methoxycinnamate; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010004
RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2012.10.22)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: trans-4-Hydroxy-3-methoxycinnamate CH$NAME: 4-Hydroxy-3-methoxycinnamic acid CH$NAME: Ferulate CH$NAME: 3-Methoxy-4-hydroxy-trans-cinnamate 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: CHEBI 17620 CH$LINK: KEGG C01494 CH$LINK: NIKKAJI J7.273G CH$LINK: PUBCHEM 4664
AC$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 2090 AC$CHROMATOGRAPHY: RETENTION_TIME 500.548 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C16H26O4Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 338.13696 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9654000000-b3f1759076cffd2ac235 PK$NUM_PEAK: 217 PK$PEAK: m/z int. rel.int. 60 15 15 61 32 32 62 12 12 63 33 33 64 5 5 65 8 8 66 3 3 67 5 5 69 3 3 70 7 7 71 7 7 72 24 24 73 999 999 74 95 95 75 216 216 76 33 33 77 72 72 78 11 11 79 23 23 80 3 3 81 3 3 82 2 2 83 14 14 84 3 3 85 7 7 86 2 2 87 6 6 88 41 41 89 127 127 90 17 17 91 28 28 92 6 6 93 6 6 94 2 2 95 5 5 96 1 1 97 2 2 98 2 2 99 5 5 100 2 2 101 10 10 102 43 43 103 26 26 104 10 10 105 19 19 106 3 3 107 8 8 108 2 2 109 7 7 110 3 3 111 3 3 113 2 2 114 2 2 115 55 55 116 22 22 117 77 77 118 25 25 119 22 22 120 5 5 121 6 6 122 3 3 123 2 2 124 3 3 125 8 8 126 1 1 127 4 4 128 7 7 129 12 12 130 10 10 131 22 22 132 7 7 133 29 29 134 5 5 135 32 32 136 6 6 137 13 13 138 2 2 139 52 52 140 6 6 141 2 2 142 6 6 143 10 10 144 4 4 145 70 70 146 23 23 147 74 74 148 21 21 149 17 17 150 6 6 151 5 5 152 1 1 153 1 1 154 45 45 155 5 5 157 2 2 158 3 3 159 10 10 160 42 42 161 35 35 162 8 8 163 20 20 164 5 5 165 6 6 166 6 6 167 1 1 171 2 2 172 1 1 173 12 12 174 7 7 175 69 69 176 16 16 177 13 13 178 5 5 179 63 63 180 11 11 181 5 5 182 1 1 185 2 2 186 1 1 187 5 5 188 6 6 189 19 19 190 45 45 191 74 74 192 40 40 193 12 12 194 3 3 195 2 2 201 3 3 202 2 2 203 43 43 204 23 23 205 25 25 206 8 8 207 10 10 208 2 2 209 30 30 210 5 5 211 1 1 216 2 2 217 7 7 218 44 44 219 102 102 220 26 26 221 21 21 222 10 10 223 7 7 224 2 2 231 3 3 232 6 6 233 23 23 234 7 7 235 5 5 236 4 4 237 1 1 247 5 5 248 4 4 249 199 199 250 50 50 251 18 18 252 3 3 253 3 3 254 1 1 263 9 9 264 12 12 265 11 11 266 4 4 267 1 1 277 1 1 278 1 1 279 53 53 280 19 19 281 8 8 282 2 2 292 2 2 293 143 143 294 54 54 295 20 20 296 4 4 297 1 1 298 1 1 299 1 1 300 1 1 301 1 1 302 1 1 303 1 1 304 2 2 305 1 1 306 1 1 307 9 9 308 190 190 309 65 65 310 25 25 311 5 5 312 1 1 315 1 1 316 1 1 317 1 1 318 1 1 319 1 1 322 4 4 323 186 186 324 58 58 325 23 23 326 4 4 329 1 1 330 1 1 331 1 1 332 1 1 333 1 1 334 1 1 337 10 10 338 231 231 339 66 66 340 26 26 341 5 5 342 1 1 //