MassBank Record: OUF00224



 (-)-Epigallo catechin; GC-EI-TOF; MS; n TMS; RT:1063.329 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00224
RECORD_TITLE: (-)-Epigallo catechin; GC-EI-TOF; MS; n TMS; RT:1063.329 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: (-)-Epigallo catechin CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C15H14O7 CH$EXACT_MASS: 306.07395 CH$SMILES: Oc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(O)c(O)3)c(O)1 CH$IUPAC: InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1 CH$LINK: CAS 970-74-1 CH$LINK: CHEBI 31029 42255 CH$LINK: CHEMSPIDER 65231 CH$LINK: KEGG C12136 CH$LINK: PUBCHEM 72277 CH$LINK: INCHIKEY XMOCLSLCDHWDHP-IUODEOHRSA-N
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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500 AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min) AC$CHROMATOGRAPHY: RETENTION_INDEX 2906.682 AC$CHROMATOGRAPHY: RETENTION_TIME 1063.329 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0a4i-0978700000-567c7251027c80e91a01 PK$NUM_PEAK: 338 PK$PEAK: m/z int. rel.int. 85 21 21 86 4 4 87 18 18 88 7 7 89 30 30 90 9 9 91 67 67 92 7 7 93 15 15 94 2 2 95 8 8 96 8 8 97 12 12 98 3 3 99 28 28 100 1 1 101 10 10 102 10 10 103 137 137 104 22 22 105 51 51 106 8 8 107 11 11 108 1 1 109 10 10 110 4 4 111 13 13 112 6 6 113 4 4 114 1 1 115 52 52 116 11 11 117 41 41 118 13 13 119 57 57 120 9 9 121 15 15 122 1 1 123 6 6 124 1 1 125 4 4 126 12 12 127 11 11 128 20 20 129 31 31 130 5 5 131 98 98 132 19 19 133 230 230 134 36 36 135 54 54 136 9 9 137 9 9 138 2 2 139 3 3 140 1 1 141 10 10 142 3 3 143 24 24 144 3 3 145 32 32 146 6 6 147 558 558 148 94 94 149 87 87 150 14 14 151 18 18 152 5 5 153 5 5 154 2 2 155 5 5 157 11 11 158 1 1 159 11 11 160 3 3 161 20 20 162 4 4 163 22 22 164 7 7 165 28 28 166 8 8 167 10 10 168 1 1 169 3 3 170 1 1 171 3 3 172 1 1 173 5 5 174 3 3 175 13 13 176 5 5 177 41 41 178 14 14 179 41 41 180 26 26 181 16 16 182 4 4 183 14 14 184 2 2 185 4 4 186 1 1 187 4 4 188 1 1 189 17 17 190 6 6 191 49 49 192 24 24 193 127 127 194 27 27 195 52 52 196 11 11 197 7 7 198 1 1 199 2 2 200 1 1 201 4 4 202 3 3 203 18 18 204 9 9 205 39 39 206 12 12 207 93 93 208 25 25 209 42 42 210 11 11 211 11 11 212 3 3 213 3 3 215 4 4 216 3 3 217 14 14 218 4 4 219 21 21 220 7 7 221 24 24 222 7 7 223 20 20 224 10 10 225 8 8 226 2 2 227 2 2 228 1 1 229 3 3 230 1 1 231 5 5 232 2 2 233 13 13 234 4 4 235 22 22 236 10 10 237 39 39 238 15 15 239 53 53 240 17 17 241 9 9 242 2 2 243 2 2 244 1 1 245 2 2 246 1 1 247 6 6 248 4 4 249 30 30 250 13 13 251 52 52 252 22 22 253 39 39 254 35 35 255 16 16 256 5 5 257 1 1 258 1 1 259 1 1 260 1 1 261 7 7 262 3 3 263 32 32 264 15 15 265 89 89 266 36 36 267 371 371 268 98 98 269 46 46 270 10 10 271 3 3 272 1 1 273 3 3 274 1 1 275 3 3 276 2 2 277 14 14 278 8 8 279 55 55 280 28 28 281 81 81 282 40 40 283 112 112 284 33 33 285 12 12 286 3 3 288 1 1 289 7 7 290 3 3 291 23 23 292 11 11 293 25 25 294 20 20 295 33 33 296 12 12 297 9 9 298 3 3 299 1 1 301 1 1 302 1 1 303 2 2 304 1 1 305 9 9 306 5 5 307 29 29 308 12 12 309 12 12 310 13 13 311 11 11 312 5 5 313 3 3 314 1 1 315 1 1 317 2 2 318 5 5 319 3 3 320 1 1 321 7 7 322 4 4 323 9 9 324 10 10 325 61 61 326 34 34 327 19 19 328 7 7 329 2 2 330 1 1 331 1 1 332 1 1 334 1 1 335 3 3 336 4 4 337 17 17 338 12 12 339 33 33 340 21 21 341 16 16 342 7 7 343 6 6 344 2 2 345 2 2 346 1 1 349 2 2 350 2 2 351 7 7 352 9 9 353 56 56 354 70 70 355 757 757 356 356 356 357 163 163 358 52 52 359 17 17 360 3 3 361 2 2 362 9 9 363 2 2 365 3 3 366 6 6 367 19 19 368 137 137 369 68 68 370 37 37 371 15 15 372 5 5 373 2 2 374 1 1 377 2 2 378 1 1 379 4 4 380 6 6 381 22 22 382 29 29 383 82 82 384 44 44 385 21 21 386 5 5 387 1 1 394 1 1 395 7 7 396 6 6 397 8 8 398 3 3 399 3 3 400 1 1 401 1 1 411 1 1 412 1 1 413 1 1 414 2 2 415 2 2 416 1 1 427 1 1 428 2 2 429 2 2 430 2 2 431 2 2 440 3 3 441 5 5 442 5 5 443 9 9 444 4 4 445 2 2 446 1 1 452 1 1 453 4 4 454 20 20 455 159 159 456 999 999 457 544 544 458 283 283 459 104 104 460 34 34 461 8 8 462 2 2 463 1 1 469 2 2 470 2 2 471 4 4 472 2 2 485 1 1 487 4 4 488 1 1 489 1 1 //