ACCESSION: MSBNK-Kazusa-KZ000089
RECORD_TITLE: Ferulic acid; GC-EI-TOF; MS; 2 TMS; BP:323
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//