ACCESSION: MSBNK-RIKEN-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$LINK: PUBCHEM 4664
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 2090
AC$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
//