ACCESSION: MSBNK-Kazusa-KZ000100
RECORD_TITLE: 4-Hydroxybenzyl alcohol; GC-EI-TOF; MS; 2 TMS; BP:179
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//