MassBank Record: PR010083



 4-Hydroxyphenylpyruvic acid; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010083
RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; GC-EI-TOF; MS; 3 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$NAME: 4-Hydroxyphenylpyruvic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C9H8O4 CH$EXACT_MASS: 180.04226 CH$SMILES: OC(=O)C(=O)Cc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) CH$LINK: CAS 156-39-8 CH$LINK: NIKKAJI J101.877I
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$CHROMATOGRAPHY: RETENTION_INDEX 1766 AC$CHROMATOGRAPHY: RETENTION_TIME 432.898 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C18H32O4Si3 MS$FOCUSED_ION: DERIVATIVE_MASS 396.16084 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00xr-9340000000-087aad2497b3493d27c0 PK$NUM_PEAK: 113 PK$PEAK: m/z int. rel.int. 60 3 3 61 8 8 62 2 2 63 5 5 64 1 1 65 4 4 66 8 8 67 2 2 69 1 1 70 4 4 71 4 4 72 11 11 73 999 999 74 84 84 75 67 67 76 7 7 77 34 34 78 3 3 79 5 5 81 1 1 83 3 3 84 1 1 85 3 3 87 2 2 88 1 1 89 8 8 90 2 2 91 19 19 92 2 2 93 3 3 95 10 10 96 1 1 97 1 1 99 1 1 101 1 1 102 2 2 103 8 8 104 4 4 105 11 11 106 1 1 107 2 2 109 1 1 115 5 5 116 1 1 117 8 8 118 2 2 119 6 6 120 1 1 121 4 4 123 2 2 131 16 16 132 2 2 133 36 36 134 5 5 135 16 16 136 2 2 137 2 2 145 2 2 146 1 1 147 124 124 148 21 21 149 16 16 150 2 2 151 17 17 152 3 3 153 1 1 161 9 9 162 3 3 163 16 16 164 3 3 165 2 2 175 1 1 176 1 1 177 10 10 178 7 7 179 22 22 180 3 3 181 2 2 191 4 4 192 4 4 193 41 41 194 8 8 195 3 3 206 3 3 207 2 2 209 3 3 219 1 1 221 1 1 223 2 2 225 1 1 235 1 1 236 1 1 237 9 9 238 2 2 239 1 1 251 13 13 252 6 6 253 4 4 265 6 6 266 5 5 267 480 480 268 114 114 269 46 46 270 7 7 271 1 1 281 1 1 340 1 1 341 24 24 342 10 10 343 4 4 344 1 1 369 5 5 370 2 2 //