MassBank Record: KZ000007



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

ACCESSION: KZ000007
RECORD_TITLE: 4-Hydroxybenzyl alcohol; 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_01414_P000130

CH$NAME: 4-Hydroxybenzyl alcohol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C7H8O2 CH$EXACT_MASS: 124.05243 CH$SMILES: OCc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2 CH$LINK: CAS 623-05-2 CH$LINK: INCHIKEY BVJSUAQZOZWCKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8073920
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1593.9 AC$CHROMATOGRAPHY: RETENTION_TIME 743.862 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: splash10-00os-1930000000-4cb3e427ccd00fb05cef PK$NUM_PEAK: 122 PK$PEAK: m/z int. rel.int. 82 56 56 83 18 18 84 3 3 85 22 22 86 3 3 87 14 14 88 4 4 89 134 134 90 53 53 91 103 103 92 11 11 93 15 15 94 2 2 95 32 32 96 6 6 97 8 8 98 2 2 99 4 4 101 4 4 102 11 11 103 60 60 104 50 50 105 78 78 106 64 64 107 29 29 108 3 3 109 10 10 110 2 2 111 9 9 112 2 2 113 2 2 115 12 12 116 3 3 117 14 14 118 4 4 119 76 76 120 9 9 121 23 23 122 4 4 123 10 10 124 1 1 125 1 1 127 1 1 129 1 1 130 1 1 131 20 20 132 4 4 133 47 47 134 9 9 135 37 37 136 5 5 137 17 17 138 2 2 139 1 1 143 4 4 144 1 1 145 14 14 146 3 3 147 462 462 148 79 79 149 109 109 150 21 21 151 68 68 152 11 11 153 4 4 159 1 1 161 23 23 162 6 6 163 86 86 164 29 29 165 114 114 166 17 17 167 7 7 168 1 1 175 2 2 176 1 1 177 26 26 178 13 13 179 999 999 180 183 183 181 51 51 182 6 6 183 1 1 190 3 3 191 7 7 192 3 3 193 33 33 194 10 10 195 6 6 196 2 2 207 10 10 208 3 3 209 29 29 210 9 9 211 3 3 219 1 1 221 1 1 222 1 1 223 38 38 224 14 14 225 16 16 226 6 6 227 2 2 235 6 6 236 3 3 237 29 29 238 10 10 239 4 4 240 1 1 251 6 6 252 5 5 253 255 255 254 64 64 255 25 25 256 4 4 265 2 2 266 5 5 267 207 207 268 246 246 269 66 66 270 21 21 271 3 3 //

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