ACCESSION: MSBNK-Kazusa-KZ000007
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_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
//