MassBank Record: KZ000068



 Protocatechuic acid; GC-EI-TOF; MS; 3 TMS; BP:193 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000068
RECORD_TITLE: Protocatechuic acid; GC-EI-TOF; MS; 3 TMS; BP:193
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01645_P000141

CH$NAME: 3,4-Dihydroxybenzoic acid CH$NAME: Protocatechuic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C7H6O4 CH$EXACT_MASS: 154.02661 CH$SMILES: OC(=O)c(c1)cc(O)c(O)c1 CH$IUPAC: InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) CH$LINK: CAS 99-50-3 CH$LINK: KEGG C00230 CH$LINK: INCHIKEY YQUVCSBJEUQKSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021212
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1908.4 AC$CHROMATOGRAPHY: RETENTION_TIME 886.991 sec
MS$FOCUSED_ION: BASE_PEAK 193 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0006-0913000000-0933eeed3701393aa41f PK$NUM_PEAK: 158 PK$PEAK: m/z int. rel.int. 82 1 1 83 55 55 84 8 8 85 8 8 86 1 1 87 5 5 88 1 1 89 28 28 90 8 8 91 27 27 92 6 6 93 15 15 94 2 2 95 10 10 96 1 1 97 4 4 98 5 5 99 3 3 101 2 2 102 2 2 103 18 18 104 10 10 105 36 36 106 4 4 107 22 22 108 3 3 109 24 24 110 3 3 111 4 4 112 1 1 113 2 2 115 8 8 116 1 1 117 8 8 118 3 3 119 23 23 120 3 3 121 10 10 122 2 2 123 11 11 124 1 1 125 1 1 126 6 6 127 1 1 129 2 2 131 18 18 132 3 3 133 49 49 134 9 9 135 27 27 136 8 8 137 105 105 138 17 17 139 5 5 141 1 1 143 4 4 145 3 3 146 1 1 147 46 46 148 9 9 149 19 19 150 7 7 151 9 9 152 2 2 153 1 1 155 1 1 157 2 2 159 1 1 161 3 3 162 1 1 163 20 20 164 11 11 165 84 84 166 26 26 167 6 6 168 1 1 175 1 1 177 5 5 178 3 3 179 17 17 180 3 3 181 4 4 182 1 1 183 1 1 189 1 1 191 8 8 192 6 6 193 999 999 194 132 132 195 44 44 196 6 6 197 1 1 205 2 2 206 1 1 207 19 19 208 4 4 209 7 7 210 2 2 211 6 6 212 1 1 219 1 1 221 4 4 222 4 4 223 98 98 224 24 24 225 10 10 226 1 1 235 1 1 236 1 1 237 9 9 238 2 2 239 2 2 251 2 2 252 1 1 253 1 1 254 1 1 265 5 5 266 3 3 267 40 40 268 10 10 269 4 4 270 1 1 279 3 3 280 2 2 281 41 41 282 14 14 283 5 5 284 1 1 295 1 1 297 1 1 298 1 1 309 1 1 310 6 6 311 93 93 312 44 44 313 36 36 314 11 11 315 4 4 316 1 1 353 1 1 354 7 7 355 120 120 356 48 48 357 22 22 358 5 5 359 1 1 361 1 1 362 1 1 363 1 1 364 1 1 365 1 1 366 1 1 369 16 16 370 159 159 371 51 51 372 21 21 373 4 4 374 1 1 //

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