MassBank Record: KZ000178



 4-Hydroxybenzoic acid; GC-EI-TOF; MS; 2 TMS; BP:267 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000178
RECORD_TITLE: 4-Hydroxybenzoic acid; GC-EI-TOF; MS; 2 TMS; BP:267
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_01725_P000137

CH$NAME: 4-Hydroxybenzoic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C7H6O3 CH$EXACT_MASS: 138.03169 CH$SMILES: Oc(c1)ccc(c1)C(O)=O CH$IUPAC: InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10) CH$LINK: CAS 99-96-7 CH$LINK: KEGG C00156 CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3026647
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 1742.3 AC$CHROMATOGRAPHY: RETENTION_TIME 814.513 sec
MS$FOCUSED_ION: BASE_PEAK 267 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-01b9-0490000000-89473836b0071542185e PK$NUM_PEAK: 111 PK$PEAK: m/z int. rel.int. 82 3 3 83 11 11 84 4 4 85 10 10 87 4 4 88 1 1 89 41 41 90 15 15 91 68 68 92 32 32 93 15 15 94 2 2 95 14 14 96 6 6 97 6 6 98 2 2 99 2 2 101 2 2 102 3 3 103 26 26 104 34 34 105 38 38 106 4 4 107 15 15 108 2 2 109 8 8 110 1 1 111 10 10 115 11 11 116 1 1 117 10 10 118 12 12 119 21 21 120 12 12 121 24 24 122 17 17 123 9 9 125 1 1 126 53 53 129 1 1 131 11 11 132 1 1 133 36 36 134 7 7 135 60 60 136 6 6 137 6 6 143 1 1 145 3 3 147 27 27 148 5 5 149 34 34 150 8 8 151 62 62 152 1 1 153 1 1 157 1 1 161 1 1 163 7 7 164 2 2 165 7 7 166 7 7 167 1 1 176 2 2 177 6 6 178 1 1 179 44 44 180 5 5 181 5 5 191 10 10 192 4 4 193 312 312 194 42 42 195 13 13 196 1 1 207 31 31 208 6 6 209 4 4 221 8 8 222 7 7 223 780 780 224 125 125 225 38 38 226 3 3 237 3 3 238 1 1 239 1 1 240 1 1 241 1 1 242 1 1 243 1 1 244 1 1 245 1 1 246 1 1 247 1 1 248 1 1 249 1 1 250 1 1 251 2 2 252 1 1 253 1 1 254 1 1 265 3 3 266 13 13 267 999 999 268 180 180 269 49 49 270 3 3 273 1 1 282 37 37 283 1 1 //

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