MassBank Record: KZ000101



 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: KZ000101
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_05395_P000031

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 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 827.779 sec
MS$FOCUSED_ION: BASE_PEAK 179 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0h01-0940000000-a14203384331e709252f PK$NUM_PEAK: 165 PK$PEAK: m/z int. rel.int. 82 14 14 83 13 13 84 1 1 85 15 15 86 2 2 87 10 10 88 7 7 89 135 135 90 84 84 91 42 42 92 4 4 93 6 6 94 1 1 95 10 10 96 2 2 97 3 3 98 1 1 99 6 6 101 6 6 102 12 12 103 47 47 104 40 40 105 56 56 106 10 10 107 23 23 108 2 2 109 9 9 110 1 1 111 3 3 113 1 1 115 11 11 116 5 5 117 67 67 118 15 15 119 25 25 120 5 5 121 18 18 122 3 3 123 7 7 124 1 1 125 1 1 129 1 1 130 2 2 131 27 27 132 6 6 133 162 162 134 29 29 135 72 72 136 14 14 137 17 17 138 2 2 139 1 1 140 1 1 141 1 1 143 5 5 144 1 1 145 15 15 146 5 5 147 251 251 148 57 57 149 178 178 150 33 33 151 13 13 152 2 2 153 1 1 155 1 1 156 1 1 157 2 2 158 1 1 159 4 4 160 2 2 161 50 50 162 17 17 163 207 207 164 574 574 165 110 110 166 29 29 167 4 4 168 1 1 175 6 6 176 5 5 177 96 96 178 27 27 179 999 999 180 181 181 181 55 55 182 6 6 183 1 1 189 2 2 190 2 2 191 78 78 192 15 15 193 24 24 194 6 6 195 6 6 196 2 2 197 1 1 203 1 1 204 1 1 205 3 3 206 21 21 207 10 10 208 16 16 209 13 13 210 6 6 211 5 5 212 2 2 213 1 1 219 3 3 220 2 2 221 5 5 222 4 4 223 6 6 224 2 2 225 35 35 226 19 19 227 6 6 228 2 2 229 1 1 230 1 1 233 1 1 234 1 1 235 2 2 236 4 4 237 26 26 238 13 13 239 5 5 240 1 1 249 1 1 250 1 1 251 4 4 252 349 349 253 167 167 254 77 77 255 19 19 256 4 4 257 1 1 265 6 6 266 10 10 267 5 5 268 2 2 269 1 1 270 1 1 271 1 1 272 1 1 273 2 2 274 2 2 275 1 1 276 1 1 277 1 1 278 1 1 279 2 2 280 8 8 281 263 263 282 76 76 283 32 32 284 7 7 285 2 2 286 1 1 295 17 17 296 292 292 297 89 89 298 36 36 299 6 6 300 1 1 //

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