MassBank Record: KZ000008



 4-Hydroxyphenylacetic acid; GC-EI-TOF; MS; 2 TMS; BP:179 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000008
RECORD_TITLE: 4-Hydroxyphenylacetic acid; GC-EI-TOF; MS; 2 TMS; BP:179
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_01416_P000151

CH$NAME: 4-Hydroxyphenylacetic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C8H8O3 CH$EXACT_MASS: 152.04734 CH$SMILES: OC(=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) CH$LINK: CAS 156-38-7 CH$LINK: KEGG C00642 CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745
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 1780.6 AC$CHROMATOGRAPHY: RETENTION_TIME 831.863 sec
MS$FOCUSED_ION: BASE_PEAK 179 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-01ta-1930000000-57c9e8ddaa10569055aa PK$NUM_PEAK: 158 PK$PEAK: m/z int. rel.int. 82 53 53 83 29 29 84 10 10 85 31 31 86 6 6 87 21 21 88 13 13 89 289 289 90 151 151 91 110 110 92 14 14 93 22 22 94 3 3 95 22 22 96 4 4 97 7 7 98 2 2 99 9 9 100 1 1 101 9 9 102 22 22 103 92 92 104 65 65 105 123 123 106 20 20 107 43 43 108 5 5 109 18 18 110 2 2 111 7 7 112 1 1 113 2 2 114 1 1 115 22 22 116 7 7 117 98 98 118 18 18 119 39 39 120 8 8 121 32 32 122 5 5 123 10 10 124 2 2 125 2 2 126 1 1 127 1 1 128 1 1 129 3 3 130 3 3 131 40 40 132 8 8 133 166 166 134 29 29 135 139 139 136 22 22 137 28 28 138 4 4 139 2 2 141 1 1 143 7 7 144 2 2 145 27 27 146 7 7 147 282 282 148 62 62 149 271 271 150 42 42 151 20 20 152 3 3 153 2 2 154 1 1 155 1 1 156 1 1 157 2 2 158 1 1 159 5 5 160 3 3 161 95 95 162 26 26 163 290 290 164 679 679 165 127 127 166 32 32 167 4 4 173 1 1 175 9 9 176 5 5 177 110 110 178 37 37 179 999 999 180 161 161 181 45 45 182 5 5 183 1 1 189 2 2 190 3 3 191 102 102 192 18 18 193 26 26 194 5 5 195 6 6 196 1 1 197 1 1 204 1 1 205 2 2 206 19 19 207 10 10 208 16 16 209 25 25 210 8 8 211 5 5 212 1 1 219 2 2 220 1 1 221 6 6 222 3 3 223 5 5 224 3 3 225 40 40 226 15 15 227 5 5 228 1 1 233 1 1 235 4 4 236 4 4 237 29 29 238 9 9 239 4 4 240 1 1 249 2 2 250 1 1 251 8 8 252 398 398 253 156 156 254 62 62 255 15 15 256 3 3 265 13 13 266 5 5 267 4 4 268 1 1 269 1 1 271 1 1 272 1 1 273 1 1 274 1 1 279 2 2 280 13 13 281 289 289 282 72 72 283 29 29 284 5 5 285 1 1 295 14 14 296 238 238 297 60 60 298 22 22 299 3 3 //

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