MassBank Record: PR010008



 4-Hydroxyphenylacetic acid; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010008
RECORD_TITLE: 4-Hydroxyphenylacetic acid; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: 4-Hydroxyphenylacetic acid CH$NAME: 4-Hydroxyphenylacetate 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$LINK: CHEBI 18101 CH$LINK: KEGG C00642 CH$LINK: NIKKAJI J5.873D CH$LINK: PUBCHEM 3915
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$CHROMATOGRAPHY: RETENTION_INDEX 1635.5 AC$CHROMATOGRAPHY: RETENTION_TIME 405.145 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C14H24O3Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 296.1264 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9410000000-678591f03aba45c2a6ae PK$NUM_PEAK: 102 PK$PEAK: m/z int. rel.int. 60 4 4 61 16 16 62 3 3 63 12 12 64 2 2 65 3 3 66 1 1 67 4 4 69 1 1 70 2 2 71 3 3 72 11 11 73 999 999 74 90 90 75 121 121 76 11 11 77 25 25 78 10 10 79 6 6 81 1 1 82 7 7 83 3 3 84 1 1 85 4 4 87 2 2 88 1 1 89 32 32 90 18 18 91 12 12 92 1 1 93 2 2 95 2 2 97 1 1 99 1 1 101 1 1 102 2 2 103 11 11 104 8 8 105 15 15 106 2 2 107 5 5 109 2 2 111 1 1 115 2 2 116 1 1 117 16 16 118 3 3 119 5 5 120 1 1 121 4 4 123 1 1 131 5 5 132 1 1 133 31 31 134 5 5 135 17 17 136 2 2 137 3 3 145 3 3 146 1 1 147 45 45 148 9 9 149 40 40 150 6 6 151 3 3 161 10 10 162 3 3 163 34 34 164 113 113 165 19 19 166 5 5 175 1 1 177 17 17 178 5 5 179 153 153 180 24 24 181 7 7 191 10 10 192 1 1 193 3 3 195 1 1 206 2 2 207 1 1 208 2 2 209 3 3 210 1 1 221 1 1 225 6 6 226 1 1 237 5 5 238 1 1 252 67 67 253 25 25 254 10 10 255 2 2 265 2 2 281 44 44 282 11 11 283 4 4 296 46 46 297 12 12 298 4 4 //