MassBank Record: KZ000100



 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: KZ000100
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_04990_P000053

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$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 744.812 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: splash10-004j-1930000000-8da8f2d1a4cd6945c0d2 PK$NUM_PEAK: 133 PK$PEAK: m/z int. rel.int. 82 58 58 83 20 20 84 2 2 85 31 31 86 3 3 87 18 18 88 4 4 89 180 180 90 79 79 91 87 87 92 7 7 93 10 10 94 1 1 95 24 24 96 6 6 97 9 9 98 2 2 99 5 5 101 5 5 102 16 16 103 77 77 104 79 79 105 81 81 106 54 54 107 22 22 108 2 2 109 6 6 110 1 1 111 11 11 112 3 3 113 1 1 115 12 12 116 3 3 117 15 15 118 6 6 119 88 88 120 7 7 121 10 10 122 2 2 123 5 5 124 1 1 125 1 1 127 1 1 129 1 1 131 16 16 132 3 3 133 36 36 134 7 7 135 17 17 136 4 4 137 7 7 138 2 2 139 1 1 143 4 4 144 1 1 145 13 13 146 3 3 147 542 542 148 51 51 149 30 30 150 5 5 151 14 14 152 5 5 153 1 1 159 1 1 160 1 1 161 14 14 162 6 6 163 74 74 164 24 24 165 36 36 166 2 2 167 1 1 175 1 1 176 1 1 177 25 25 178 13 13 179 999 999 180 89 89 181 8 8 190 4 4 191 9 9 192 4 4 193 36 36 194 7 7 195 7 7 196 2 2 207 11 11 208 6 6 209 31 31 210 16 16 211 6 6 212 1 1 219 2 2 220 2 2 221 3 3 222 1 1 223 73 73 224 22 22 225 21 21 226 8 8 227 3 3 228 1 1 235 7 7 236 6 6 237 28 28 238 21 21 239 5 5 240 1 1 243 1 1 244 1 1 245 1 1 246 1 1 247 1 1 249 1 1 251 10 10 252 4 4 253 339 339 254 82 82 255 18 18 256 2 2 259 1 1 260 1 1 261 1 1 262 1 1 263 1 1 264 1 1 265 1 1 266 6 6 267 126 126 268 191 191 269 38 38 270 11 11 //

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