MassBank Record: MSBNK-Kazusa-KZ000133
ACCESSION: MSBNK-Kazusa-KZ000133
RECORD_TITLE: Ferulic acid; GC-EI-TOF; MS; 2 TMS; BP:249
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_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
//
